N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-3-hydroxy-2-methylbenzamide

• ChemBase ID: 829137
• Molecular Formular: C20H17FN2O3
• Molecular Mass: 352.3589832
• Monoisotopic Mass: 352.12232063
• SMILES: c1(c(CNC(=O)c2c(c(O)ccc2)C)cccn1)Oc1c(F)cccc1
• Canonical SMILES: Fc1ccccc1Oc1ncccc1CNC(=O)c1cccc(c1C)O
• InChI: InChI=1S/C20H17FN2O3/c1-13-15(7-4-9-17(13)24)19(25)23-12-14-6-5-11-22-20(14)26-18-10-3-2-8-16(18)21/h2-11,24H,12H2,1H3,(H,23,25)
• InChIKey: RNIWYBTXUCJIHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-3-hydroxy-2-methylbenzamide
• IUPAC Traditional name: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-3-hydroxy-2-methylbenzamide
• Synonyms: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-3-hydroxy-2-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.282585
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.0015397
• LogD (pH = 7.4): 3.9960449
• Log P: 4.0016656
• Molar Refractivity: 96.2816 cm^3
• Polarizability: 36.06816 Å^3
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.24
• LOG S: -3.96
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 5