N-[(2,4-dichlorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 652589
• Molecular Formular: C16H19Cl2N3O2
• Molecular Mass: 356.24696
• Monoisotopic Mass: 355.08543222
• SMILES: C12(C(=O)NCCC2)CN(C(=O)NCc2c(cc(cc2)Cl)Cl)CC1
• Canonical SMILES: Clc1ccc(c(c1)Cl)CNC(=O)N1CCC2(C1)CCCNC2=O
• InChI: InChI=1S/C16H19Cl2N3O2/c17-12-3-2-11(13(18)8-12)9-20-15(23)21-7-5-16(10-21)4-1-6-19-14(16)22/h2-3,8H,1,4-7,9-10H2,(H,19,22)(H,20,23)
• InChIKey: LRSXCBVCOWIYHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,4-dichlorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: N-[(2,4-dichlorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: N-(2,4-dichlorobenzyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.219561
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9679897
• LogD (pH = 7.4): 1.9679892
• Log P: 1.9679898
• Molar Refractivity: 89.7711 cm^3
• Polarizability: 34.664112 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.47
• LOG S: -3.05
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 2