chempirical

[[3-(Trifluoromethyl)benzoyl]amino]acetic acid

C10H8F3NO3CAS 17794-48-8247.17 g/mol

Open in Covalent MOL file
OHONHOFFF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C10H8F3NO3
Molar mass
247.17 g/mol
Exact mass
247.0456 Da
logP
2.09Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
17794-48-8
SMILES
O=C(O)CN=C(O)c1cccc(C(F)(F)F)c1
InChIKey
ZDGGJQMSELMHLK-UHFFFAOYSA-N
InChI
InChI=1S/C10H8F3NO3/c11-10(12,13)7-3-1-2-6(4-7)9(17)14-5-8(15)16/h1-4H,5H2,(H,14,17)(H,15,16)

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Names and synonyms

8 names
  • Glycine, N-[3-(trifluoromethyl)benzoyl]-
  • Hippuric acid, m-(trifluoromethyl)-
  • N-[3-(Trifluoromethyl)benzoyl]glycine
  • m-Trifluoromethylhippuric acid
  • 2-(3-(Trifluoromethyl)benzamido)aceticacid
  • 2-(3-(Trifluoromethyl)benzamido)acetic acid
  • 2-[[3-(Trifluoromethyl)benzoyl]amino]acetic acid
  • 2-[[3-(Trifluoromethyl)phenyl]formamido]acetic acid

Work with [[3-(Trifluoromethyl)benzoyl]amino]acetic 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

3-Methylhippuric acid27115-49-761 % similar 3-(Trifluoromethyl)benzoic acid454-92-255 % similar [3-(Trifluoromethyl)phenyl]acetic acid351-35-955 % similar Methenamine hippurate5714-73-855 % similar Nicotinuric acid583-08-452 % similar 3-(3-Trifluoromethylphenyl)propanoic acid585-50-252 % similar 3-(Trifluoromethyl)benzoyl fluoride328-99-449 % similar 2-Bromo-1-[3-(trifluoromethyl)phenyl]ethanone2003-10-348 % similar

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

Elsewhere

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