N-(2,5-difluorophenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

• ChemBase ID: 722916
• Molecular Formular: C15H18F2N4O2
• Molecular Mass: 324.3258264
• Monoisotopic Mass: 324.13978228
• SMILES: C(=O)(N1CCC2(C(=O)NCCN2)CC1)Nc1cc(ccc1F)F
• Canonical SMILES: O=C(N1CCC2(CC1)NCCNC2=O)Nc1cc(F)ccc1F
• InChI: InChI=1S/C15H18F2N4O2/c16-10-1-2-11(17)12(9-10)20-14(23)21-7-3-15(4-8-21)13(22)18-5-6-19-15/h1-2,9,19H,3-8H2,(H,18,22)(H,20,23)
• InChIKey: KOTSECDKVHLBMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,5-difluorophenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
• IUPAC Traditional name: N-(2,5-difluorophenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
• Synonyms: N-(2,5-difluorophenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.179576
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.4865186
• LogD (pH = 7.4): -0.005954327
• Log P: 0.20526381
• Molar Refractivity: 80.8546 cm^3
• Polarizability: 30.011625 Å^3
• Polar Surface Area: 73.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 0.03
• LOG S: -2.9
• Polar Surface Area: 73.47 Å^2
• Rotatable Bonds: 1