N-[3-(2-fluorophenyl)propyl]-2-(pyrrolidin-3-yl)acetamide

• ChemBase ID: 648749
• Molecular Formular: C15H21FN2O
• Molecular Mass: 264.3384432
• Monoisotopic Mass: 264.16379152
• SMILES: C(=O)(NCCCc1c(F)cccc1)CC1CNCC1
• Canonical SMILES: O=C(CC1CNCC1)NCCCc1ccccc1F
• InChI: InChI=1S/C15H21FN2O/c16-14-6-2-1-4-13(14)5-3-8-18-15(19)10-12-7-9-17-11-12/h1-2,4,6,12,17H,3,5,7-11H2,(H,18,19)
• InChIKey: LTPDOIVIXWORLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-fluorophenyl)propyl]-2-(pyrrolidin-3-yl)acetamide
• IUPAC Traditional name: N-[3-(2-fluorophenyl)propyl]-2-(pyrrolidin-3-yl)acetamide
• Synonyms: N-[3-(2-fluorophenyl)propyl]-2-pyrrolidin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.2449
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5213493
• LogD (pH = 7.4): -1.4289317
• Log P: 1.7193571
• Molar Refractivity: 73.8763 cm^3
• Polarizability: 28.560236 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.67
• LOG S: -2.56
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 6