2-cyclopropyl-N-(2,5-difluorophenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

• ChemBase ID: 331249
• Molecular Formular: C19H23F2N3O2
• Molecular Mass: 363.4016264
• Monoisotopic Mass: 363.17583343
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)Nc1cc(ccc1F)F)CC2)C1CC1
• Canonical SMILES: Fc1ccc(c(c1)NC(=O)N1CCC2(CC1)CCC(=O)N(C2)C1CC1)F
• InChI: InChI=1S/C19H23F2N3O2/c20-13-1-4-15(21)16(11-13)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: RCZCEHJCHCKWFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-N-(2,5-difluorophenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• IUPAC Traditional name: 2-cyclopropyl-N-(2,5-difluorophenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• Synonyms: 2-cyclopropyl-N-(2,5-difluorophenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.1929035
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9602734
• LogD (pH = 7.4): 1.960208
• Log P: 1.9602746
• Molar Refractivity: 94.1972 cm^3
• Polarizability: 35.063656 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: 1.9
• LOG S: -3.47
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2