2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide

• ChemBase ID: 537904
• Molecular Formular: C17H21FN2O2
• Molecular Mass: 304.3592432
• Monoisotopic Mass: 304.15870614
• SMILES: c1(C(C(=O)NCCc2oc(cc2)C)N(C)C)cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)C(C(=O)NCCc1ccc(o1)C)N(C)C
• InChI: InChI=1S/C17H21FN2O2/c1-12-7-8-15(22-12)9-10-19-17(21)16(20(2)3)13-5-4-6-14(18)11-13/h4-8,11,16H,9-10H2,1-3H3,(H,19,21)
• InChIKey: KKZORPPASLMOBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide
• Synonyms: 2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(5-methyl-2-furyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.396458
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7895881
• LogD (pH = 7.4): 2.0876698
• Log P: 2.2082584
• Molar Refractivity: 84.3845 cm^3
• Polarizability: 31.994791 Å^3
• Polar Surface Area: 45.48 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: 3.01
• LOG S: -3.99
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 6