5-chloro-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide , CAS No.1580-42-3

Name: 5-chloro-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide , CAS No.1580-42-3
Brand: Aladdin Scientific
SKU: C668886
Availability: InStock

CAS: 1580-42-3 Cat. No.: C668886 Molecular Weight: 315.67 PubChem CID: 5065884

COA

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5-chloro-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide - CAS No(1580-42-3) by Aladdin Scientific

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Synonyms

5-chloro-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide | SARS-CoV-2-IN-15 | MMV665807 | SJ000010289 | Benzamide, 5-chloro-2-hydroxy-N-[3-(trifluoromethyl)phenyl]- | BAA58042 | BDBM50430176 | NSC766528 | AKOS001603002 | NSC-766528 | HY-144772 | EN300-17

Storage

Room temperature

Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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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

Storage

Room temperature

Action Type

INHIBITOR

Product Properties

ALogP	4.5

Names and Identifiers

Canonical Smiles	C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)Cl)O)C(F)(F)F
IUPAC Name	5-chloro-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
InChIKey	OAMVIBKEICGPKK-UHFFFAOYSA-N
INCHI	1S/C14H9ClF3NO2/c15-9-4-5-12(20)11(7-9)13(21)19-10-3-1-2-8(6-10)14(16,17)18/h1-7,20H,(H,19,21)
Isomeric SMILES	C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)Cl)O)C(F)(F)F
PubChem CID	5065884
Molecular Weight	315.67

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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Aromatic anilides
        Level6 Benzanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Aromatic anilides
Direct Parent	Benzanilides
Alternative Parents	3-halobenzoic acids and derivatives Trifluoromethylbenzenes Salicylamides Benzamides Benzoyl derivatives P-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous acids Secondary carboxylic acid amides Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organooxygen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzanilide - Salicylamide - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Trifluoromethylbenzene - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - 4-halophenol - Benzoyl - 4-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

P2RX4 Tchem P2X purinoceptor 4 (1 Activities)

Discover Target: P2RX4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

P2RX7 Tchem P2X purinoceptor 7 (1 Activities)

Discover Target: P2RX7

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

P2RX1 Tchem P2X purinoceptor 1 (1 Activities)

Discover Target: P2RX1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

P2RX4 Tchem P2X purinoceptor 4 (516 Activities)

Discover Target: P2RX4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

P2RX7 Tchem P2X purinoceptor 7 (5534 Activities)

Discover Target: P2RX7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

P2RX1 Tchem P2X purinoceptor 1 (328 Activities)

Discover Target: P2RX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC2A1 Tchem Glucose transporter (14755 Activities)

Discover Target: SLC2A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Molecular Weight	315.670 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	315.027 Da
Monoisotopic Mass	315.027 Da
Topological Polar Surface Area	49.300 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	378.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1