Molecule ID: 71679243

IUPAC Name: N-[2-(3,4-difluorophenyl)phenyl]-3-(trifluoromethyl)pyrazine-2-carboxamide

Description: The molecule is an aromatic amide obtained by formal condensation of the carboxy group of pyrazine-2-carboxylic acid with the amino function of 3',4'-difluoro[1,1'-biphenyl]-2-amine. It has a role as an antifungal agrochemical. It is a monocarboxylic acid amide, an aromatic amide, a member of pyrazines, a member of biphenyls, a difluorobenzene and an organofluorine pesticide.

SMILES: OC(=Nc1ccccc1-c1ccc(F)c(F)c1)c1nccnc1C(F)(F)F

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

InChI: InChI=1S/C18H10F5N3O/c19-12-6-5-10(9-13(12)20)11-3-1-2-4-14(11)26-17(27)15-16(18(21,22)23)25-8-7-24-15/h1-9H,(H,26,27)

Molecular Properties:
- Polar Surface Area: 54.9 Ų
- LogP: 3.7