2-(2-fluorophenyl)-N-methyl-N-[(1-{2-[3-(trifluoromethyl)phenyl]ethyl}piperidin-3-yl)methyl]acetamide

• ChemBase ID: 409288
• Molecular Formular: C24H28F4N2O
• Molecular Mass: 436.4855328
• Monoisotopic Mass: 436.21377641
• SMILES: C(c1cc(CCN2CC(CN(C(=O)Cc3c(F)cccc3)C)CCC2)ccc1)(F)(F)F
• Canonical SMILES: O=C(N(CC1CCCN(C1)CCc1cccc(c1)C(F)(F)F)C)Cc1ccccc1F
• InChI: InChI=1S/C24H28F4N2O/c1-29(23(31)15-20-8-2-3-10-22(20)25)16-19-7-5-12-30(17-19)13-11-18-6-4-9-21(14-18)24(26,27)28/h2-4,6,8-10,14,19H,5,7,11-13,15-17H2,1H3
• InChIKey: UTHPJHWGKYLLID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)-N-methyl-N-[(1-{2-[3-(trifluoromethyl)phenyl]ethyl}piperidin-3-yl)methyl]acetamide
• IUPAC Traditional name: 2-(2-fluorophenyl)-N-methyl-N-[(1-{2-[3-(trifluoromethyl)phenyl]ethyl}piperidin-3-yl)methyl]acetamide
• Synonyms: 2-(2-fluorophenyl)-N-methyl-N-[(1-{2-[3-(trifluoromethyl)phenyl]ethyl}-3-piperidinyl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5971028
• LogD (pH = 7.4): 3.1750085
• Log P: 4.814052
• Molar Refractivity: 114.7092 cm^3
• Polarizability: 42.762997 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.6
• LOG S: -5.74
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 7