2-[2-(3,4-dichlorophenyl)morpholin-4-yl]-N,N-diethylacetamide

• ChemBase ID: 860149
• Molecular Formular: C16H22Cl2N2O2
• Molecular Mass: 345.26408
• Monoisotopic Mass: 344.10583331
• SMILES: C(=O)(CN1CC(c2cc(c(cc2)Cl)Cl)OCC1)N(CC)CC
• Canonical SMILES: CCN(C(=O)CN1CCOC(C1)c1ccc(c(c1)Cl)Cl)CC
• InChI: InChI=1S/C16H22Cl2N2O2/c1-3-20(4-2)16(21)11-19-7-8-22-15(10-19)12-5-6-13(17)14(18)9-12/h5-6,9,15H,3-4,7-8,10-11H2,1-2H3
• InChIKey: VEFHCIBVUGHPDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(3,4-dichlorophenyl)morpholin-4-yl]-N,N-diethylacetamide
• IUPAC Traditional name: 2-[2-(3,4-dichlorophenyl)morpholin-4-yl]-N,N-diethylacetamide
• Synonyms: 2-[2-(3,4-dichlorophenyl)morpholin-4-yl]-N,N-diethylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7010083
• LogD (pH = 7.4): 2.7946725
• Log P: 2.7960074
• Molar Refractivity: 90.1524 cm^3
• Polarizability: 35.23117 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.35
• LOG S: -4.58
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5