2-(dimethylamino)-2-(2-fluorophenyl)-N-{2-[methyl(phenyl)amino]ethyl}acetamide

• ChemBase ID: 370563
• Molecular Formular: C19H24FN3O
• Molecular Mass: 329.4117632
• Monoisotopic Mass: 329.19034062
• SMILES: c1(C(C(=O)NCCN(c2ccccc2)C)N(C)C)c(F)cccc1
• Canonical SMILES: CN(c1ccccc1)CCNC(=O)C(c1ccccc1F)N(C)C
• InChI: InChI=1S/C19H24FN3O/c1-22(2)18(16-11-7-8-12-17(16)20)19(24)21-13-14-23(3)15-9-5-4-6-10-15/h4-12,18H,13-14H2,1-3H3,(H,21,24)
• InChIKey: YPSNAHUHLVNLLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(2-fluorophenyl)-N-{2-[methyl(phenyl)amino]ethyl}acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(2-fluorophenyl)-N-{2-[methyl(phenyl)amino]ethyl}acetamide
• Synonyms: 2-(dimethylamino)-2-(2-fluorophenyl)-N-{2-[methyl(phenyl)amino]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.590193
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2214437
• LogD (pH = 7.4): 3.0443351
• Log P: 3.0737822
• Molar Refractivity: 95.8835 cm^3
• Polarizability: 36.332527 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.16
• LOG S: -4.3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 7