1,3-DIPHENYLUREA

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.

N-phenylureas

Organic compounds

Benzenoids

Benzene and substituted derivatives

N-phenylureas

Calculated Property

kind Value Source
logP 3.1 ALOGPS
logS -3.4 ALOGPS
Water Solubility 9.12e-02 g/l ALOGPS
logP 3.12 ChemAxon
IUPAC Name 1,3-diphenylurea ChemAxon
Traditional IUPAC Name 1,3-diphenylurea ChemAxon
Molecular Weight 212.2472 ChemAxon
Monoisotopic Weight 212.094963016 ChemAxon
SMILES O=C(NC1=CC=CC=C1)NC1=CC=CC=C1 ChemAxon
Molecular Formula C13H12N2O ChemAxon
InChI InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16) ChemAxon
InChIKey InChIKey=GWEHVDNNLFDJLR-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 41.13 ChemAxon
Refractivity 66.05 ChemAxon
Polarizability 21.91 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 11.53 ChemAxon
pKa (strongest basic) -4.5 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Epoxide hydrolase : in Mycobacterium tuberculosis