2-[2-(4-chlorophenyl)morpholin-4-yl]-2-oxoacetamide

• ChemBase ID: 504090
• Molecular Formular: C12H13ClN2O3
• Molecular Mass: 268.69622
• Monoisotopic Mass: 268.06146997
• SMILES: N1(C(=O)C(=O)N)CC(c2ccc(cc2)Cl)OCC1
• Canonical SMILES: O=C(C(=O)N)N1CCOC(C1)c1ccc(cc1)Cl
• InChI: InChI=1S/C12H13ClN2O3/c13-9-3-1-8(2-4-9)10-7-15(5-6-18-10)12(17)11(14)16/h1-4,10H,5-7H2,(H2,14,16)
• InChIKey: JHXDKVVUAUOQSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(4-chlorophenyl)morpholin-4-yl]-2-oxoacetamide
• IUPAC Traditional name: 2-[2-(4-chlorophenyl)morpholin-4-yl]-2-oxoacetamide
• Synonyms: 2-[2-(4-chlorophenyl)morpholin-4-yl]-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• Log P: 0.73949975
• Molar Refractivity: 66.0385 cm^3
• Polarizability: 25.706608 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.006564
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.73949975
• LogD (pH = 7.4): 0.7395007

供应商提供(Chembridge)

• Log P: 0.21
• LOG S: -2.65
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 2
• H Acceptors: 3
• H Donor: 1