2-(dimethylamino)-N-{2-[(4-fluorophenyl)formamido]ethyl}-2-(3-methylphenyl)acetamide

• ChemBase ID: 727241
• Molecular Formular: C20H24FN3O2
• Molecular Mass: 357.4218632
• Monoisotopic Mass: 357.18525524
• SMILES: c1(C(C(=O)NCCNC(=O)c2ccc(cc2)F)N(C)C)cc(ccc1)C
• Canonical SMILES: Fc1ccc(cc1)C(=O)NCCNC(=O)C(c1cccc(c1)C)N(C)C
• InChI: InChI=1S/C20H24FN3O2/c1-14-5-4-6-16(13-14)18(24(2)3)20(26)23-12-11-22-19(25)15-7-9-17(21)10-8-15/h4-10,13,18H,11-12H2,1-3H3,(H,22,25)(H,23,26)
• InChIKey: OQEKLBWXQPWKTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-{2-[(4-fluorophenyl)formamido]ethyl}-2-(3-methylphenyl)acetamide
• IUPAC Traditional name: 2-(dimethylamino)-N-{2-[(4-fluorophenyl)formamido]ethyl}-2-(3-methylphenyl)acetamide
• Synonyms: N-(2-{[(dimethylamino)(3-methylphenyl)acetyl]amino}ethyl)-4-fluorobenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.3961
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6968696
• LogD (pH = 7.4): 2.271883
• Log P: 2.553476
• Molar Refractivity: 100.4712 cm^3
• Polarizability: 37.957397 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: 3.14
• LOG S: -4.49
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 7