Name: Name:Benzoic acid, 2-[(4-methylphenyl)amino]-
Brand: Angene
SKU: AG001W15
Rating: 90 (10 reviews)

Benzoic acid, 2-[(4-methylphenyl)amino]-

CAS No.:

16524-23-5

Catalog Number:

AG001W15

Molecular Formula:

C14H13NO2

Molecular Weight:

227.2585

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG001W15

Chemical Name:

Benzoic acid, 2-[(4-methylphenyl)amino]-

CAS Number:

16524-23-5

Molecular Formula:

C14H13NO2

Molecular Weight:

227.2585

MDL Number:

MFCD01675194

IUPAC Name:

2-(4-methylanilino)benzoic acid

InChI:

InChI=1S/C14H13NO2/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)

InChI Key:

DEFSEYPSVLNHBM-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)Nc1ccccc1C(=O)O

Properties

Complexity:

259

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.263g/mol

Monoisotopic Mass:

227.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7

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

Properties