8-(cyclopropylmethyl)-N-(2,5-difluorophenyl)-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxamide

• ChemBase ID: 503579
• Molecular Formular: C20H25F2N3O2
• Molecular Mass: 377.4282064
• Monoisotopic Mass: 377.1914835
• SMILES: C(=O)(N1CC2(CN(C(=O)CC2)CC2CC2)CCC1)Nc1cc(ccc1F)F
• Canonical SMILES: Fc1ccc(c(c1)NC(=O)N1CCCC2(C1)CCC(=O)N(C2)CC1CC1)F
• InChI: InChI=1S/C20H25F2N3O2/c21-15-4-5-16(22)17(10-15)23-19(27)24-9-1-7-20(12-24)8-6-18(26)25(13-20)11-14-2-3-14/h4-5,10,14H,1-3,6-9,11-13H2,(H,23,27)
• InChIKey: ASWAXQVXQSSZME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(cyclopropylmethyl)-N-(2,5-difluorophenyl)-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxamide
• IUPAC Traditional name: 8-(cyclopropylmethyl)-N-(2,5-difluorophenyl)-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxamide
• Synonyms: 8-(cyclopropylmethyl)-N-(2,5-difluorophenyl)-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.19097
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4311934
• LogD (pH = 7.4): 2.431128
• Log P: 2.4311948
• Molar Refractivity: 98.774 cm^3
• Polarizability: 36.888996 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: 2.56
• LOG S: -4.14
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 3