N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-4-hydroxy-3-methylbenzamide

• ChemBase ID: 666866
• Molecular Formular: C20H17FN2O3
• Molecular Mass: 352.3589832
• Monoisotopic Mass: 352.12232063
• SMILES: c1(c(CNC(=O)c2cc(c(cc2)O)C)cccn1)Oc1c(F)cccc1
• Canonical SMILES: O=C(c1ccc(c(c1)C)O)NCc1cccnc1Oc1ccccc1F
• InChI: InChI=1S/C20H17FN2O3/c1-13-11-14(8-9-17(13)24)19(25)23-12-15-5-4-10-22-20(15)26-18-7-3-2-6-16(18)21/h2-11,24H,12H2,1H3,(H,23,25)
• InChIKey: LLDJPBRGGNZADS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-4-hydroxy-3-methylbenzamide
• IUPAC Traditional name: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-4-hydroxy-3-methylbenzamide
• Synonyms: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-4-hydroxy-3-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.841328
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.0014143
• LogD (pH = 7.4): 3.9863176
• Log P: 4.0016656
• Molar Refractivity: 96.2816 cm^3
• Polarizability: 36.066742 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: 3.23
• LOG S: -3.95
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 5