2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(furan-2-yl)propyl]acetamide

• ChemBase ID: 669098
• Molecular Formular: C17H21FN2O2
• Molecular Mass: 304.3592432
• Monoisotopic Mass: 304.15870614
• SMILES: C(=O)(C(c1ccc(cc1)F)N(C)C)NCCCc1occc1
• Canonical SMILES: CN(C(c1ccc(cc1)F)C(=O)NCCCc1ccco1)C
• InChI: InChI=1S/C17H21FN2O2/c1-20(2)16(13-7-9-14(18)10-8-13)17(21)19-11-3-5-15-6-4-12-22-15/h4,6-10,12,16H,3,5,11H2,1-2H3,(H,19,21)
• InChIKey: UPNBZKOUHSVGPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(furan-2-yl)propyl]acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(furan-2-yl)propyl]acetamide
• Synonyms: 2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(2-furyl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.38182
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0027151
• LogD (pH = 7.4): 2.3763318
• Log P: 2.5260596
• Molar Refractivity: 83.8794 cm^3
• Polarizability: 32.069416 Å^3
• Polar Surface Area: 45.48 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: 2.84
• LOG S: -3.85
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 7