N-[2-(2-fluorophenyl)ethyl]-2-(oxan-3-yl)acetamide

• ChemBase ID: 595603
• Molecular Formular: C15H20FNO2
• Molecular Mass: 265.3232032
• Monoisotopic Mass: 265.14780711
• SMILES: C(=O)(NCCc1c(F)cccc1)CC1COCCC1
• Canonical SMILES: O=C(CC1CCCOC1)NCCc1ccccc1F
• InChI: InChI=1S/C15H20FNO2/c16-14-6-2-1-5-13(14)7-8-17-15(18)10-12-4-3-9-19-11-12/h1-2,5-6,12H,3-4,7-11H2,(H,17,18)
• InChIKey: LASZXAOOPQCDSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-fluorophenyl)ethyl]-2-(oxan-3-yl)acetamide
• IUPAC Traditional name: N-[2-(2-fluorophenyl)ethyl]-2-(oxan-3-yl)acetamide
• Synonyms: N-[2-(2-fluorophenyl)ethyl]-2-(tetrahydro-2H-pyran-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.09572
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.036785
• LogD (pH = 7.4): 2.036785
• Log P: 2.036785
• Molar Refractivity: 72.1954 cm^3
• Polarizability: 27.742603 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.57
• LOG S: -2.48
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5