chempirical

N-Benzylanthranilic acid

C14H13NO2CAS 6622-55-5227.26 g/mol

Open in Covalent MOL file
OHOHN
Carboxylic acidSecondary amine

Properties

Molecular formula
C14H13NO2
Molar mass
227.26 g/mol
Exact mass
227.0946 Da
Melting point
175 °C
logP
3.00Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
6622-55-5
SMILES
O=C(O)c1ccccc1NCc1ccccc1
InChIKey
JGQKORRBYIBYOF-UHFFFAOYSA-N
InChI
InChI=1S/C14H13NO2/c16-14(17)12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)

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Names and synonyms

9 names
  • Benzoic acid, 2-[(phenylmethyl)amino]-
  • Anthranilic acid, N-benzyl-
  • 2-[(Phenylmethyl)amino]benzoic acid
  • N-Benzyl-o-aminobenzoic acid
  • 2-(Phenylmethylamino)benzoic acid
  • 2-(N-Benzylamino)benzoic acid
  • NSC 54454
  • NSC 54640
  • 2-(Benzylamino)benzoic acid

Work with N-Benzylanthranilic 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

N-(2-Carboxyphenyl)glycine612-42-062 % similar Fenamic acid91-40-758 % similar N-Methylanthranilic acid119-68-656 % similar 2-(2-Phenylethyl)benzoic acid4890-85-154 % similar 2-Carboxyphenylhydrazine hydrochloride52356-01-154 % similar Phthalic acid88-99-352 % similar 2-(Benzyloxy)benzoic acid14389-86-750 % similar Monobenzyl phthalate2528-16-749 % similar

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

Same formula

2,2-Diphenylglycine3060-50-2 (±)-Benzoin oxime441-38-3 Benzyl anthranilate82185-41-9

Elsewhere

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