N-(2,5-dichlorophenyl)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxamide

• ChemBase ID: 599416
• Molecular Formular: C16H21Cl2N3O
• Molecular Mass: 342.26344
• Monoisotopic Mass: 341.10616767
• SMILES: C(=O)(N1CC2(CN(CC2)C)CCC1)Nc1cc(ccc1Cl)Cl
• Canonical SMILES: CN1CCC2(C1)CCCN(C2)C(=O)Nc1cc(Cl)ccc1Cl
• InChI: InChI=1S/C16H21Cl2N3O/c1-20-8-6-16(10-20)5-2-7-21(11-16)15(22)19-14-9-12(17)3-4-13(14)18/h3-4,9H,2,5-8,10-11H2,1H3,(H,19,22)
• InChIKey: YYLODJVQDUJGIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,5-dichlorophenyl)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxamide
• IUPAC Traditional name: N-(2,5-dichlorophenyl)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxamide
• Synonyms: N-(2,5-dichlorophenyl)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.9103565
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.112560116
• LogD (pH = 7.4): 1.4878844
• Log P: 3.0806344
• Molar Refractivity: 91.7823 cm^3
• Polarizability: 34.918575 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.29
• LOG S: -4.5
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 1