Molecule ID: 121892

IUPAC Name: ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate

Description: The molecule is a substituted aniline that is benzene-1,2,4-triamine bearing ethoxycarbonyl and 4-fluorobenzyl substituents at positions N-1 and N-4 respectively. An anticonvulsant used to treat seizures associated with epilepsy in adults. It has a role as an anticonvulsant and a potassium channel modulator. It is a carbamate ester, an organofluorine compound, a substituted aniline and a secondary amino compound. It derives from a benzene-1,2,4-triamine.

SMILES: CCOC(O)=Nc1ccc(NCc2ccc(F)cc2)cc1N

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

InChI: InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)

Molecular Properties:
- Polar Surface Area: 76.4 Ų
- LogP: 2.8