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

• ChemBase ID: 326413
• Molecular Formular: C17H18Cl2N2O3
• Molecular Mass: 369.24242
• Monoisotopic Mass: 368.06944781
• SMILES: N1(CC(c2cc(c(cc2)Cl)Cl)OCC1)CC(=O)NCc1occc1
• Canonical SMILES: O=C(CN1CCOC(C1)c1ccc(c(c1)Cl)Cl)NCc1ccco1
• InChI: InChI=1S/C17H18Cl2N2O3/c18-14-4-3-12(8-15(14)19)16-10-21(5-7-24-16)11-17(22)20-9-13-2-1-6-23-13/h1-4,6,8,16H,5,7,9-11H2,(H,20,22)
• InChIKey: BBODLHQWKXGNKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.863225
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6191792
• LogD (pH = 7.4): 2.6431077
• Log P: 2.643435
• Molar Refractivity: 92.762 cm^3
• Polarizability: 36.203087 Å^3
• Polar Surface Area: 54.71 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: 2.99
• LOG S: -4.45
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 5