N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(pyridin-2-yl)acetamide

• ChemBase ID: 415305
• Molecular Formular: C16H17FN2O2
• Molecular Mass: 288.3167832
• Monoisotopic Mass: 288.12740601
• SMILES: C(=O)(NC(c1cc(c(cc1)OC)F)C)Cc1ncccc1
• Canonical SMILES: COc1ccc(cc1F)C(NC(=O)Cc1ccccn1)C
• InChI: InChI=1S/C16H17FN2O2/c1-11(12-6-7-15(21-2)14(17)9-12)19-16(20)10-13-5-3-4-8-18-13/h3-9,11H,10H2,1-2H3,(H,19,20)
• InChIKey: GWASYUUAYXOXDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(pyridin-2-yl)acetamide
• IUPAC Traditional name: N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(pyridin-2-yl)acetamide
• Synonyms: N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-pyridin-2-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.232626
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2947354
• LogD (pH = 7.4): 2.3216295
• Log P: 2.3219843
• Molar Refractivity: 77.2666 cm^3
• Polarizability: 29.779556 Å^3
• Polar Surface Area: 51.22 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: 1.13
• LOG S: -0.97
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 5