2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as n-acyl-phenylureas. These are urea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.

N-acyl-phenylureas

Organic compounds

Benzenoids

Benzene and substituted derivatives

N-phenylureas

Calculated Property

kind Value Source
logP 3.99 ALOGPS
logS -5.3 ALOGPS
Water Solubility 2.10e-03 g/l ALOGPS
logP 3.73 ChemAxon
IUPAC Name 1-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-3-[2-(4-fluorophenyl)acetyl]urea ChemAxon
Traditional IUPAC Name 1-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-3-[2-(4-fluorophenyl)acetyl]urea ChemAxon
Molecular Weight 422.3842 ChemAxon
Monoisotopic Weight 422.119046808 ChemAxon
SMILES FC1=CC=C(CC(=O)NC(=O)NC2=CC(F)=C(OC3=CC=NC4=C3C=CN4)C=C2)C=C1 ChemAxon
Molecular Formula C22H16F2N4O3 ChemAxon
InChI InChI=1S/C22H16F2N4O3/c23-14-3-1-13(2-4-14)11-20(29)28-22(30)27-15-5-6-19(17(24)12-15)31-18-8-10-26-21-16(18)7-9-25-21/h1-10,12H,11H2,(H,25,26)(H2,27,28,29,30) ChemAxon
InChIKey InChIKey=BMPOCDJEXAXXEZ-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 96.11 ChemAxon
Refractivity 109.44 ChemAxon
Polarizability 39.9 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 10.63 ChemAxon
pKa (strongest basic) 5.02 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Hepatocyte growth factor receptor : in Human