Molecule ID: 19113

IUPAC Name: 1-(3,4-dichlorophenyl)-3-methylurea

Description: The molecule is a member of the class of phenylureas that is urea in which a hydrogens attached to one nitrogen is substituted by a methyl group, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group. It is a metabolite of diuron. It has a role as a marine xenobiotic metabolite. It is a dichlorobenzene and a member of phenylureas.

SMILES: CN=C(O)Nc1ccc(Cl)c(Cl)c1

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

InChI: InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)

Molecular Properties:
- Polar Surface Area: 41.1 Ų
- LogP: 2.9