2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

• ChemBase ID: 523927
• Molecular Formular: C17H24FN3O2
• Molecular Mass: 321.3897632
• Monoisotopic Mass: 321.18525524
• SMILES: c1(C(C(=O)NCCCN2C(=O)CCC2)N(C)C)cc(F)ccc1
• Canonical SMILES: CN(C(c1cccc(c1)F)C(=O)NCCCN1CCCC1=O)C
• InChI: InChI=1S/C17H24FN3O2/c1-20(2)16(13-6-3-7-14(18)12-13)17(23)19-9-5-11-21-10-4-8-15(21)22/h3,6-7,12,16H,4-5,8-11H2,1-2H3,(H,19,23)
• InChIKey: HXNDIZFDGLCMTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
• Synonyms: 2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.7794695
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7221587
• LogD (pH = 7.4): 0.5759291
• Log P: 0.69651914
• Molar Refractivity: 87.4169 cm^3
• Polarizability: 33.474537 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.96
• LOG S: -2.36
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 7