Phthalanilic acid

C₁₄H₁₁NO₃CAS 4727-29-1241.25 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₄H₁₁NO₃
Molar mass: 241.25 g/mol
Exact mass: 241.0739 Da
Melting point: 169 °C (decomposes)
logP: 3.02Crippen estimate
Polar surface area: 69.9 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

4727-29-1

SMILES

O=C(O)c1ccccc1C(O)=Nc1ccccc1

InChIKey

DSUPUOGOCIFZBG-UHFFFAOYSA-N

InChI

InChI=1S/C14H11NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h1-9H,(H,15,16)(H,17,18)

Weigh it out

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

Names and synonyms

14 names · show all

Benzoic acid, 2-[(phenylamino)carbonyl]-
2-[(Phenylamino)carbonyl]benzoic acid
N-Phenylphthalamic acid
2-(Phenylcarbamoyl)benzoic acid
o-(Phenylcarbamoyl)benzoic acid
Phthalomonoanilide
Phthalic monoanilide
Nevirol
Phthalic acid monoanilide
N-Phenylphthalamidic acid
2-Carboxybenzanilide
Lemax
NSC 26414
2-(Anilinocarbonyl)benzoic acid

Work with Phthalanilic 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

Phthalic acid88-99-363 % similar 1-Naphthylphthalamic acid132-66-158 % similar Salicylanilide87-17-258 % similar Ammonium phthalate523-24-057 % similar (S)-o-(((1-Phenylethyl)amino)carbonyl)benzoic acid21752-36-356 % similar 2-Amino-N-phenylbenzamide4424-17-356 % similar 2-Benzoylbenzoic acid85-52-953 % similar Diphenic acid482-05-352 % similar

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

Same formula

2-(2-Aminobenzoyl)benzoic acid1147-43-9 9-Acridinecarboxylic acid hydrate332927-03-4

Elsewhere

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