2-cyclopropyl-N-(2-fluorophenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

• ChemBase ID: 772150
• Molecular Formular: C19H24FN3O2
• Molecular Mass: 345.4111632
• Monoisotopic Mass: 345.18525524
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)Nc1c(F)cccc1)CC2)C1CC1
• Canonical SMILES: O=C(N1CCC2(CC1)CCC(=O)N(C2)C1CC1)Nc1ccccc1F
• InChI: InChI=1S/C19H24FN3O2/c20-15-3-1-2-4-16(15)21-18(25)22-11-9-19(10-12-22)8-7-17(24)23(13-19)14-5-6-14/h1-4,14H,5-13H2,(H,21,25)
• InChIKey: TXGIIXHAOVLUON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-N-(2-fluorophenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• IUPAC Traditional name: 2-cyclopropyl-N-(2-fluorophenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• Synonyms: 2-cyclopropyl-N-(2-fluorophenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.428607
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8175719
• LogD (pH = 7.4): 1.817534
• Log P: 1.8175726
• Molar Refractivity: 93.9808 cm^3
• Polarizability: 35.321518 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.44
• LOG S: -2.95
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2