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

• ChemBase ID: 553282
• Molecular Formular: C12H14Cl2N2O2
• Molecular Mass: 289.15776
• Monoisotopic Mass: 288.04323306
• SMILES: N1(CC(c2cc(c(cc2)Cl)Cl)OCC1)CC(=O)N
• Canonical SMILES: NC(=O)CN1CCOC(C1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C12H14Cl2N2O2/c13-9-2-1-8(5-10(9)14)11-6-16(3-4-18-11)7-12(15)17/h1-2,5,11H,3-4,6-7H2,(H2,15,17)
• InChIKey: UPVWIXIHFNTGSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.327699
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6079903
• LogD (pH = 7.4): 1.634688
• Log P: 1.6350392
• Molar Refractivity: 70.8618 cm^3
• Polarizability: 27.906769 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.8
• LOG S: -2.85
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3