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

• ChemBase ID: 314661
• Molecular Formular: C14H18Cl2N2O2
• Molecular Mass: 317.21092
• Monoisotopic Mass: 316.07453319
• SMILES: C(=O)(CC1NCCOC1)NCCc1c(cc(cc1)Cl)Cl
• Canonical SMILES: O=C(CC1COCCN1)NCCc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C14H18Cl2N2O2/c15-11-2-1-10(13(16)7-11)3-4-18-14(19)8-12-9-20-6-5-17-12/h1-2,7,12,17H,3-6,8-9H2,(H,18,19)
• InChIKey: NRWKVZJZPAMLLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.221666
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.28759924
• LogD (pH = 7.4): 1.4289683
• Log P: 2.0013413
• Molar Refractivity: 79.9182 cm^3
• Polarizability: 31.544386 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.22
• LOG S: -2.56
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5