N-{[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl}-2-hydroxybenzamide

• ChemBase ID: 382587
• Molecular Formular: C19H14F2N2O3
• Molecular Mass: 356.3228664
• Monoisotopic Mass: 356.09724876
• SMILES: c1(C(=O)NCc2c(Oc3cc(c(cc3)F)F)nccc2)c(O)cccc1
• Canonical SMILES: O=C(c1ccccc1O)NCc1cccnc1Oc1ccc(c(c1)F)F
• InChI: InChI=1S/C19H14F2N2O3/c20-15-8-7-13(10-16(15)21)26-19-12(4-3-9-22-19)11-23-18(25)14-5-1-2-6-17(14)24/h1-10,24H,11H2,(H,23,25)
• InChIKey: UELJCMOIRXEOTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl}-2-hydroxybenzamide
• IUPAC Traditional name: N-{[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl}-2-hydroxybenzamide
• Synonyms: N-{[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl}-2-hydroxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.189887
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.2800016
• LogD (pH = 7.4): 4.2161603
• Log P: 4.2809463
• Molar Refractivity: 91.4568 cm^3
• Polarizability: 34.035038 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: 3.84
• LOG S: -4.5
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 5