Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR’, where R and R’ are aryl groups.


Organic compounds

Organooxygen compounds



Calculated Property

kind Value Source
logP 4.69 ALOGPS
logS -5.1 ALOGPS
Water Solubility 3.48e-03 g/l ALOGPS
logP 4.61 ChemAxon
IUPAC Name 4-[(2-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-6-yl)oxy]-N-methylpyridine-2-carboxamide ChemAxon
Traditional IUPAC Name 4-[(2-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-3H-1,3-benzodiazol-5-yl)oxy]-N-methylpyridine-2-carboxamide ChemAxon
Molecular Weight 461.824 ChemAxon
Monoisotopic Weight 461.086637071 ChemAxon
SMILES CNC(=O)C1=NC=CC(OC2=CC3=C(C=C2)N=C(NC2=CC(=C(Cl)C=C2)C(F)(F)F)N3)=C1 ChemAxon
Molecular Formula C21H15ClF3N5O2 ChemAxon
InChI InChI=1S/C21H15ClF3N5O2/c1-26-19(31)18-10-13(6-7-27-18)32-12-3-5-16-17(9-12)30-20(29-16)28-11-2-4-15(22)14(8-11)21(23,24)25/h2-10H,1H3,(H,26,31)(H2,28,29,30) ChemAxon
Polar Surface Area (PSA) 91.93 ChemAxon
Refractivity 111.39 ChemAxon
Polarizability 42.77 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 11.64 ChemAxon
pKa (strongest basic) 6.56 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 1 ChemAxon

Target within organism

  • Vascular endothelial growth factor receptor 2 : in Human