4-(2-Methylbenzoylamino)-2-methylbenzoic acid

C16H15NO3CAS 317374-08-6269.30 g/mol

Open in Covalent MOL file
NHOOHO
AmideCarboxylic acid

Properties

Molecular formula
C16H15NO3
Molar mass
269.30 g/mol
Exact mass
269.1052 Da
logP
3.25Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
317374-08-6
SMILES
Cc1cc(NC(=O)c2ccccc2C)ccc1C(=O)O
InChIKey
KJGSVQLCVULXJU-UHFFFAOYSA-N
InChI
InChI=1S/C16H15NO3/c1-10-5-3-4-6-13(10)15(18)17-12-7-8-14(16(19)20)11(2)9-12/h3-9H,1-2H3,(H,17,18)(H,19,20)

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, 2-methyl-4-[(2-methylbenzoyl)amino]-
  • 2-Methyl-4-[(2-methylbenzoyl)amino]benzoic acid
  • 2-Methyl-4-(2-methylbenzamido)benzoic acid
  • 2-Methyl-4-(2-methylbenzamido)benzoicacid
  • 2-Methyl-4-((2-methylbenzoyl)amino)benzoic acid

Work with 4-(2-Methylbenzoylamino)-2-methylbenzoic 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

o-Toluic acid118-90-162 % similar Kartogenin4727-31-557 % similar 2-Methyl-1,4-benzenedicarboxylic acid5156-01-450 % similar 2,4-Dimethylbenzoic acid611-01-850 % similar 4-[(Biphenyl-2-ylcarbonyl)amino]benzoic acid168626-74-249 % similar 4-Hydroxy-2-methylbenzoic acid578-39-249 % similar 4-Amino-2-methylbenzoic acid2486-75-148 % similar 4-Fluoro-2-methylbenzoic acid321-21-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

L-4-Benzoylphenylalanine104504-45-2 (S)-o-(((1-Phenylethyl)amino)carbonyl)benzoic acid21752-36-3 Benzoyl-L-phenylalanine2566-22-5 N-Benzoyl-DL-phenylalanine2901-76-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook