2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]acetamide

• ChemBase ID: 754700
• Molecular Formular: C16H24FN3O
• Molecular Mass: 293.3796632
• Monoisotopic Mass: 293.19034062
• SMILES: C(=O)(C(c1ccc(cc1)F)N(C)C)NCCN1CCCC1
• Canonical SMILES: CN(C(c1ccc(cc1)F)C(=O)NCCN1CCCC1)C
• InChI: InChI=1S/C16H24FN3O/c1-19(2)15(13-5-7-14(17)8-6-13)16(21)18-9-12-20-10-3-4-11-20/h5-8,15H,3-4,9-12H2,1-2H3,(H,18,21)
• InChIKey: RRHJGZUDBTVBEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
• Synonyms: 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-pyrrolidinyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.858092
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4358926
• LogD (pH = 7.4): 0.45688325
• Log P: 1.5884596
• Molar Refractivity: 82.926 cm^3
• Polarizability: 31.923946 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.66
• LOG S: -2.76
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 6