N-(2,5-dimethyl-1H-pyrrol-1-yl)benzamide , CAS No.32558-63-7

CAS: 32558-63-7 Cat. No.: N668571 Molecular Weight: 214.26 PubChem CID: 900690
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Synonyms
N-(2,5-dimethyl-1H-pyrrol-1-yl)benzamide | N-(2,5-dimethylpyrrol-1-yl)benzamide | N-(2,5-Dimethyl-pyrrol-1-yl)-benzamide | MLS000122574 | HMS2365G24 | 1-Benzoylamino-2,5-dimethylpyrrole | STK197615 | AKOS000104075 | SMR000119951 | AH-487/42191905 | Z57014
Storage
Room temperature
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1mg
N668571-1mg
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$571.90

$999.90
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5mg
N668571-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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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.

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Literature proof

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

Specifications

Synonyms
N-(2, 5-dimethyl-1H-pyrrol-1-yl)benzamide | N-(2, 5-dimethylpyrrol-1-yl)benzamide | N-(2, 5-Dimethyl-pyrrol-1-yl)-benzamide | MLS000122574 | HMS2365G24 | 1-Benzoylamino-2, 5-dimethylpyrrole | STK197615 | AKOS000104075 | SMR000119951 | AH-487/42191905 | Z57014
Storage
Room temperature
Product Properties
ALogP2.7
Names and Identifiers
Canonical SmilesCC1=CC=C(N1NC(=O)C2=CC=CC=C2)C
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)benzamide
InChIKeyBKNCKUPTAVGZJL-UHFFFAOYSA-N
INCHI1S/C13H14N2O/c1-10-8-9-11(2)15(10)14-13(16)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,14,16)
Isomeric SMILES CC1=CC=C(N1NC(=O)C2=CC=CC=C2)C
PubChem CID 900690
Molecular Weight 214.26

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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoic acids and derivatives
Alternative Parents Benzoyl derivatives  Substituted pyrroles  Heteroaromatic compounds  Carboxylic acids and derivatives  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Benzoic acid or derivatives - Benzoyl - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP2C9 Tchem Cytochrome P450 2C9 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mycobacterium tuberculosis (203094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 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 Weight214.260 g/mol
XLogP32.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass214.111 Da
Monoisotopic Mass214.111 Da
Topological Polar Surface Area34.000 Ų
Heavy Atom Count16
Formal Charge0
Complexity238.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
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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