N-[2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide

• ChemBase ID: 430860
• Molecular Formular: C24H32F2N2O2
• Molecular Mass: 418.5198864
• Monoisotopic Mass: 418.24318471
• SMILES: C(=O)(N(C(Cc1c(cc(cc1)F)F)C1CCN(CC(C)(C)C)CC1)C)c1occc1
• Canonical SMILES: Fc1ccc(c(c1)F)CC(N(C(=O)c1ccco1)C)C1CCN(CC1)CC(C)(C)C
• InChI: InChI=1S/C24H32F2N2O2/c1-24(2,3)16-28-11-9-17(10-12-28)21(14-18-7-8-19(25)15-20(18)26)27(4)23(29)22-6-5-13-30-22/h5-8,13,15,17,21H,9-12,14,16H2,1-4H3
• InChIKey: IOGALYFZDPLIHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
• IUPAC Traditional name: N-[2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
• Synonyms: N-{2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)-4-piperidinyl]ethyl}-N-methyl-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4122388
• LogD (pH = 7.4): 2.6907756
• Log P: 4.799501
• Molar Refractivity: 115.2027 cm^3
• Polarizability: 43.69768 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.3
• LOG S: -4.38
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 7