2-chloro-3-oxo-N,3-diphenylpropanamide , CAS No.27525-98-0

CAS: 27525-98-0 Cat. No.: C668805 Molecular Weight: 273.71 PubChem CID: 3091419
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Synonyms
2-chloro-3-oxo-N,3-diphenylpropanamide | Benzenepropanamide, alpha-chloro-beta-oxo-N-phenyl- | 2-Chloro-3-oxo-3,N-diphenyl-propionamide | MLS001204581 | DTXSID70389076 | REGID_for_CID_3091419 | HMS2820K07 | 2-CHLORO-2-BENZOYLACETANILIDE | AKOS000266937 |
Storage
Room temperature
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Size
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1mg
C668805-1mg
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$571.90

$999.90
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5mg
C668805-5mg
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$1,999.90

$2,999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
2-chloro-3-oxo-N, 3-diphenylpropanamide | Benzenepropanamide, alpha-chloro-beta-oxo-N-phenyl- | 2-Chloro-3-oxo-3, N-diphenyl-propionamide | MLS001204581 | DTXSID70389076 | REGID_for_CID_3091419 | HMS2820K07 | 2-CHLORO-2-BENZOYLACETANILIDE | AKOS000266937 |
Storage
Room temperature
Product Properties
ALogP3.9
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)C(=O)C(C(=O)NC2=CC=CC=C2)Cl
IUPAC Name2-chloro-3-oxo-N,3-diphenylpropanamide
InChIKeyNGLHXBUDCGSGPT-UHFFFAOYSA-N
INCHI1S/C15H12ClNO2/c16-13(14(18)11-7-3-1-4-8-11)15(19)17-12-9-5-2-6-10-12/h1-10,13H,(H,17,19)
Isomeric SMILES C1=CC=C(C=C1)C(=O)C(C(=O)NC2=CC=CC=C2)Cl
PubChem CID 3091419
Molecular Weight 273.71

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Anilides  N-arylamides  Benzoyl derivatives  Aryl alkyl ketones  Fatty amides  1,3-dicarbonyl compounds  Alpha-chloroketones  Secondary carboxylic acid amides  Organochlorides  Organic oxides  Hydrocarbon derivatives  Alkyl chlorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - Anilide - Benzoyl - Aryl alkyl ketone - N-arylamide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Fatty amide - Alpha-haloketone - Alpha-chloroketone - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organohalogen compound - Organonitrogen compound - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alkyl halide - Organochloride - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HSP90AA1 Tchem Heat shock protein HSP 90-alpha (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATM Tchem Serine-protein kinase ATM (4198 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FEN1 Tchem Flap endonuclease 1 (12055 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNCA Tchem Alpha-synuclein (10960 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NS1 Nonstructural protein 1 (33327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSP90 (947 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
vpr Aberrant vpr protein (14595 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight273.710 g/mol
XLogP33.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass273.056 Da
Monoisotopic Mass273.056 Da
Topological Polar Surface Area46.200 Ų
Heavy Atom Count19
Formal Charge0
Complexity320.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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