UREA, N-(4-CHLOROPHENYL)-N'-METHYL- (9CI)

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key XOXCBXRQHPLFNA-UHFFFAOYSA-N
Smiles CNC(=O)NC1=CC=C(Cl)C=C1;CNC(=O)Nc1ccc(Cl)cc1
InChI
InChI=1S/C8H9ClN2O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9Cl1N2O1
Molecular Weight 184.04
AlogP 2.3
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 44.62
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 5352-88-5
NORMAN SUSDAT
CONTENTS