2-(dimethylamino)-2-(2-fluorophenyl)-N-methyl-N-[(2-methylpyridin-4-yl)methyl]acetamide

• ChemBase ID: 506684
• Molecular Formular: C18H22FN3O
• Molecular Mass: 315.3851832
• Monoisotopic Mass: 315.17469056
• SMILES: C(=O)(C(c1c(F)cccc1)N(C)C)N(Cc1cc(ncc1)C)C
• Canonical SMILES: Cc1nccc(c1)CN(C(=O)C(c1ccccc1F)N(C)C)C
• InChI: InChI=1S/C18H22FN3O/c1-13-11-14(9-10-20-13)12-22(4)18(23)17(21(2)3)15-7-5-6-8-16(15)19/h5-11,17H,12H2,1-4H3
• InChIKey: JBPMESCHQYXTHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(2-fluorophenyl)-N-methyl-N-[(2-methylpyridin-4-yl)methyl]acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(2-fluorophenyl)-N-methyl-N-[(2-methylpyridin-4-yl)methyl]acetamide
• Synonyms: 2-(dimethylamino)-2-(2-fluorophenyl)-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7524109
• LogD (pH = 7.4): 1.9831797
• Log P: 2.0258646
• Molar Refractivity: 89.3098 cm^3
• Polarizability: 34.21428 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.31
• LOG S: -2.17
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5