N-(2,5-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

• ChemBase ID: 791119
• Molecular Formular: C19H25F2N3O2
• Molecular Mass: 365.4175064
• Monoisotopic Mass: 365.1914835
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)Nc1cc(ccc1F)F)CC2)CC(C)C
• Canonical SMILES: CC(CN1CC2(CC1=O)CCN(CC2)C(=O)Nc1cc(F)ccc1F)C
• InChI: InChI=1S/C19H25F2N3O2/c1-13(2)11-24-12-19(10-17(24)25)5-7-23(8-6-19)18(26)22-16-9-14(20)3-4-15(16)21/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,22,26)
• InChIKey: WSFBANKTMOMOAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,5-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
• IUPAC Traditional name: N-(2,5-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
• Synonyms: N-(2,5-difluorophenyl)-2-isobutyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.192903
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.294443
• LogD (pH = 7.4): 2.294378
• Log P: 2.2944446
• Molar Refractivity: 96.1292 cm^3
• Polarizability: 35.772728 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.72
• LOG S: -4.19
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 3