N-Cyclohexyl-N’-(4-Iodophenyl)Urea

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 3.89 ALOGPS
logS -4.2 ALOGPS
Water Solubility 2.14e-02 g/l ALOGPS
logP 3.83 ChemAxon
IUPAC Name 1-cyclohexyl-3-(4-iodophenyl)urea ChemAxon
Traditional IUPAC Name 1-cyclohexyl-3-(4-iodophenyl)urea ChemAxon
Molecular Weight 344.1914 ChemAxon
Monoisotopic Weight 344.038556596 ChemAxon
SMILES IC1=CC=C(NC(=O)NC2CCCCC2)C=C1 ChemAxon
Molecular Formula C13H17IN2O ChemAxon
InChI InChI=1S/C13H17IN2O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17) ChemAxon
InChIKey InChIKey=AQTBUVAFYDVTFD-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 41.13 ChemAxon
Refractivity 78.87 ChemAxon
Polarizability 30.63 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 13.51 ChemAxon
pKa (strongest basic) -2.4 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

  • Bifunctional epoxide hydrolase 2 : in Human