Name: Name:2-[(4-acetylphenyl)amino]benzoic acid
Brand: Angene
SKU: AG01BXUO
Rating: 90 (10 reviews)

2-[(4-acetylphenyl)amino]benzoic acid

CAS No.:

23600-82-0

Catalog Number:

AG01BXUO

Molecular Formula:

C15H13NO3

Molecular Weight:

255.2686

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Product Description

Catalog Number:

AG01BXUO

Chemical Name:

2-[(4-acetylphenyl)amino]benzoic acid

CAS Number:

23600-82-0

Molecular Formula:

C15H13NO3

Molecular Weight:

255.2686

MDL Number:

MFCD22084279

IUPAC Name:

2-(4-acetylanilino)benzoic acid

InChI:

InChI=1S/C15H13NO3/c1-10(17)11-6-8-12(9-7-11)16-14-5-3-2-4-13(14)15(18)19/h2-9,16H,1H3,(H,18,19)

InChI Key:

QYOXABROWSLTCG-UHFFFAOYSA-N

SMILES:

CC(=O)c1ccc(cc1)Nc1ccccc1C(=O)O

Properties

Complexity:

334

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.273g/mol

Monoisotopic Mass:

255.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3

Literature

Title	Journal
Development of potent and selective inhibitors of aldo-keto reductase 1C3 (type 5 17β-hydroxysteroid dehydrogenase) based on N-phenyl-aminobenzoates and their structure-activity relationships.	Journal of medicinal chemistry 20120308