Molecule ID: 9719

IUPAC Name: 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

Description: The molecule is a phenylurea that is urea substituted by 4-chlorophenyl and 4-chloro-3-trifluoromethylphenyl groups at positions 1 and 3 respectively. It is often used in deodarants and soaps on account of its anbacterial properties. It has a role as an antibacterial agent. It is a member of phenylureas and a member of monochlorobenzenes. It contains a trifluoromethyl group.

SMILES: OC(=Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Cl)cc1

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

InChI: InChI=1S/C14H9Cl2F3N2O/c15-8-1-3-9(4-2-8)20-13(22)21-10-5-6-12(16)11(7-10)14(17,18)19/h1-7H,(H2,20,21,22)

Molecular Properties:
- Polar Surface Area: 41.1 Ų
- LogP: 5.3