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

• ChemBase ID: 861142
• Molecular Formular: C15H20Cl2N2O2
• Molecular Mass: 331.2375
• Monoisotopic Mass: 330.09018325
• SMILES: N1(CC(c2cc(c(cc2)Cl)Cl)OCC1)CCC(=O)NCC
• Canonical SMILES: CCNC(=O)CCN1CCOC(C1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C15H20Cl2N2O2/c1-2-18-15(20)5-6-19-7-8-21-14(10-19)11-3-4-12(16)13(17)9-11/h3-4,9,14H,2,5-8,10H2,1H3,(H,18,20)
• InChIKey: WPSONEZOEDVREJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.618073
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6600788
• LogD (pH = 7.4): 2.4249492
• Log P: 2.452536
• Molar Refractivity: 85.2065 cm^3
• Polarizability: 33.397873 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.29
• LOG S: -3.57
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5