N-{2-[2-(dimethylamino)-2-(2-fluorophenyl)acetamido]ethyl}-2-methylpropanamide

• ChemBase ID: 671617
• Molecular Formular: C16H24FN3O2
• Molecular Mass: 309.3790632
• Monoisotopic Mass: 309.18525524
• SMILES: c1(C(C(=O)NCCNC(=O)C(C)C)N(C)C)c(F)cccc1
• Canonical SMILES: CN(C(c1ccccc1F)C(=O)NCCNC(=O)C(C)C)C
• InChI: InChI=1S/C16H24FN3O2/c1-11(2)15(21)18-9-10-19-16(22)14(20(3)4)12-7-5-6-8-13(12)17/h5-8,11,14H,9-10H2,1-4H3,(H,18,21)(H,19,22)
• InChIKey: BFZSYFJRXZHIEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[2-(dimethylamino)-2-(2-fluorophenyl)acetamido]ethyl}-2-methylpropanamide
• IUPAC Traditional name: N-{2-[2-(dimethylamino)-2-(2-fluorophenyl)acetamido]ethyl}-2-methylpropanamide
• Synonyms: N-(2-{[(dimethylamino)(2-fluorophenyl)acetyl]amino}ethyl)-2-methylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.340452
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6196176
• LogD (pH = 7.4): 1.4005178
• Log P: 1.4294025
• Molar Refractivity: 83.9609 cm^3
• Polarizability: 32.358673 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.97
• LOG S: -2.29
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 7