2-{2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl}-N,N-dimethylacetamide

• ChemBase ID: 545344
• Molecular Formular: C19H25F2N3O2
• Molecular Mass: 365.4175064
• Monoisotopic Mass: 365.1914835
• SMILES: N1(C(=O)CC2(C1)CCN(CC(=O)N(C)C)CC2)Cc1cc(c(cc1)F)F
• Canonical SMILES: O=C(N(C)C)CN1CCC2(CC1)CC(=O)N(C2)Cc1ccc(c(c1)F)F
• InChI: InChI=1S/C19H25F2N3O2/c1-22(2)18(26)12-23-7-5-19(6-8-23)10-17(25)24(13-19)11-14-3-4-15(20)16(21)9-14/h3-4,9H,5-8,10-13H2,1-2H3
• InChIKey: JZFMYSIYQNPQIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl}-N,N-dimethylacetamide
• IUPAC Traditional name: 2-{2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl}-N,N-dimethylacetamide
• Synonyms: 2-[2-(3,4-difluorobenzyl)-3-oxo-2,8-diazaspiro[4.5]dec-8-yl]-N,N-dimethylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4573499
• LogD (pH = 7.4): 0.2578188
• Log P: 0.758414
• Molar Refractivity: 95.2948 cm^3
• Polarizability: 36.148476 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.13
• LOG S: -2.83
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 4