Molecule ID: 72193702

IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-hydroxyacetamide

Description: The molecule is a hydroxamic acid obtained by formal condensation of the carboxy group of indometacin with the amino group of hydroxylamine. It has a role as a non-steroidal anti-inflammatory drug, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and a non-narcotic analgesic. It is an organochlorine compound, a N-acylindole, an aromatic ether and a hydroxamic acid. It derives from an indometacin.

SMILES: COc1ccc2c(c1)c(CC(O)=NO)cn2C(=O)c1ccc(Cl)cc1

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

InChI: InChI=1S/C18H15ClN2O4/c1-25-14-6-7-16-15(9-14)12(8-17(22)20-24)10-21(16)18(23)11-2-4-13(19)5-3-11/h2-7,9-10,24H,8H2,1H3,(H,20,22)

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 2.9