N-{3-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-oxopropyl}acetamide

• ChemBase ID: 691854
• Molecular Formular: C15H18Cl2N2O3
• Molecular Mass: 345.22102
• Monoisotopic Mass: 344.06944781
• SMILES: N1(C(=O)CCNC(=O)C)CC(c2cc(c(cc2)Cl)Cl)OCC1
• Canonical SMILES: CC(=O)NCCC(=O)N1CCOC(C1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C15H18Cl2N2O3/c1-10(20)18-5-4-15(21)19-6-7-22-14(9-19)11-2-3-12(16)13(17)8-11/h2-3,8,14H,4-7,9H2,1H3,(H,18,20)
• InChIKey: VDNCBWFOEQMKFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.995762
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3226223
• LogD (pH = 7.4): 1.3226224
• Log P: 1.3226224
• Molar Refractivity: 84.7291 cm^3
• Polarizability: 33.149193 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.84
• LOG S: -3.29
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4