N-{[5-(4-fluorophenyl)furan-2-yl]methyl}-2-(pyridin-3-yl)acetamide

• ChemBase ID: 718425
• Molecular Formular: C18H15FN2O2
• Molecular Mass: 310.3223032
• Monoisotopic Mass: 310.11175595
• SMILES: c1(oc(cc1)CNC(=O)Cc1cnccc1)c1ccc(cc1)F
• Canonical SMILES: O=C(Cc1cccnc1)NCc1ccc(o1)c1ccc(cc1)F
• InChI: InChI=1S/C18H15FN2O2/c19-15-5-3-14(4-6-15)17-8-7-16(23-17)12-21-18(22)10-13-2-1-9-20-11-13/h1-9,11H,10,12H2,(H,21,22)
• InChIKey: PIASFGOSWJJPOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(4-fluorophenyl)furan-2-yl]methyl}-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: N-{[5-(4-fluorophenyl)furan-2-yl]methyl}-2-(pyridin-3-yl)acetamide
• Synonyms: N-{[5-(4-fluorophenyl)-2-furyl]methyl}-2-pyridin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.86682
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.223661
• LogD (pH = 7.4): 2.303555
• Log P: 2.3047032
• Molar Refractivity: 84.1612 cm^3
• Polarizability: 33.212784 Å^3
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.87
• LOG S: -1.76
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 5