Molecule ID: 6433107

IUPAC Name: 2-[5-ethyl-2-(2,3,5,6-tetrafluoroanilino)phenyl]acetic acid

Description: The molecule is an aromatic amino acid that is 2-amino-5-ethylphenylacetic acid in which one of the amino hydrogens is replaced by a 2,3,5,6-tetrafluorophenyl group. A selective cyclooxygenase 2 inhibitor that is used in veterinary medicine for the relief of pain and inflammation in cats and dogs. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and a cyclooxygenase 2 inhibitor. It is an aromatic amino acid, a monocarboxylic acid, an organofluorine compound, a secondary amino compound and a member of phenylacetic acids.

SMILES: CCc1ccc(Nc2c(F)c(F)cc(F)c2F)c(CC(=O)O)c1

SELFIES: [C][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][=Branch2][F][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch1]

InChI: InChI=1S/C16H13F4NO2/c1-2-8-3-4-12(9(5-8)6-13(22)23)21-16-14(19)10(17)7-11(18)15(16)20/h3-5,7,21H,2,6H2,1H3,(H,22,23)

Molecular Properties:
- Polar Surface Area: 49.3 Ų
- LogP: 4.1