chempirical

2-[(3-Chlorophenyl)amino]benzoic acid

C13H10ClNO2CAS 13278-36-9247.68 g/mol

Open in Covalent MOL file
OHONHCl
Aryl halideCarboxylic acidSecondary amine

Properties

Molecular formula
C13H10ClNO2
Molar mass
247.68 g/mol
Exact mass
247.0400 Da
Melting point
167–168 °C
logP
3.78Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
13278-36-9
SMILES
O=C(O)c1ccccc1Nc1cccc(Cl)c1
InChIKey
OVMWPVYEBVFZHM-UHFFFAOYSA-N
InChI
InChI=1S/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzoic acid, 2-[(3-chlorophenyl)amino]-
  • Anthranilic acid, N-(m-chlorophenyl)-
  • N-(3-Chlorophenyl)-anthranilic acid
  • N-(m-Chlorophenyl)anthranilic acid
  • NSC 49135
  • 2-(3-Chloroanilino)benzoic acid

Work with 2-[(3-Chlorophenyl)amino]benzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Lobenzarit63329-53-372 % similar Fenamic acid91-40-769 % similar Flufenamic acid530-78-964 % similar Tolfenamic acid13710-19-557 % similar Mefenamic acid61-68-751 % similar N-Methylanthranilic acid119-68-650 % similar 2-Carboxyphenylhydrazine hydrochloride52356-01-149 % similar 3-Chlorobenzoic acid535-80-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Chlorosalicylanilide4638-48-6

Elsewhere

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