5-(2-ethoxypyridin-3-yl)-2-fluorobenzamide

• ChemBase ID: 441955
• Molecular Formular: C14H13FN2O2
• Molecular Mass: 260.2636232
• Monoisotopic Mass: 260.09610589
• SMILES: c1(cc(c2c(nccc2)OCC)ccc1F)C(=O)N
• Canonical SMILES: CCOc1ncccc1c1ccc(c(c1)C(=O)N)F
• InChI: InChI=1S/C14H13FN2O2/c1-2-19-14-10(4-3-7-17-14)9-5-6-12(15)11(8-9)13(16)18/h3-8H,2H2,1H3,(H2,16,18)
• InChIKey: WXKZUAWKAWMJNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-ethoxypyridin-3-yl)-2-fluorobenzamide
• IUPAC Traditional name: 5-(2-ethoxypyridin-3-yl)-2-fluorobenzamide
• Synonyms: 5-(2-ethoxypyridin-3-yl)-2-fluorobenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.755763
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.189062
• LogD (pH = 7.4): 2.1897285
• Log P: 2.1897352
• Molar Refractivity: 69.8574 cm^3
• Polarizability: 27.228125 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.87
• LOG S: -2.7
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 4