2-cyclopropyl-N-(3,4-difluorophenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

• ChemBase ID: 540401
• Molecular Formular: C19H23F2N3O2
• Molecular Mass: 363.4016264
• Monoisotopic Mass: 363.17583343
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)Nc1cc(c(cc1)F)F)CC2)C1CC1
• Canonical SMILES: O=C(N1CCC2(CC1)CCC(=O)N(C2)C1CC1)Nc1ccc(c(c1)F)F
• InChI: InChI=1S/C19H23F2N3O2/c20-15-4-1-13(11-16(15)21)22-18(26)23-9-7-19(8-10-23)6-5-17(25)24(12-19)14-2-3-14/h1,4,11,14H,2-3,5-10,12H2,(H,22,26)
• InChIKey: BPZKBAGXAIDLFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-N-(3,4-difluorophenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• IUPAC Traditional name: 2-cyclopropyl-N-(3,4-difluorophenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• Synonyms: 2-cyclopropyl-N-(3,4-difluorophenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.158378
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9602742
• LogD (pH = 7.4): 1.9602739
• Log P: 1.9602746
• Molar Refractivity: 94.1972 cm^3
• Polarizability: 35.06019 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2
• H Acceptors: 2
• H Donor: 1
• Log P: 1.93
• LOG S: -3.5