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

• ChemBase ID: 596105
• Molecular Formular: C18H19Cl2N3O2
• Molecular Mass: 380.26836
• Monoisotopic Mass: 379.08543222
• SMILES: N1(CC(c2cc(c(cc2)Cl)Cl)OCC1)CC(=O)NCc1ncccc1
• Canonical SMILES: O=C(CN1CCOC(C1)c1ccc(c(c1)Cl)Cl)NCc1ccccn1
• InChI: InChI=1S/C18H19Cl2N3O2/c19-15-5-4-13(9-16(15)20)17-11-23(7-8-25-17)12-18(24)22-10-14-3-1-2-6-21-14/h1-6,9,17H,7-8,10-12H2,(H,22,24)
• InChIKey: SGZCBVDRDIGCFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.301232
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3961399
• LogD (pH = 7.4): 2.446322
• Log P: 2.4469879
• Molar Refractivity: 97.692 cm^3
• Polarizability: 38.401123 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.34
• LOG S: -2.67
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5