2-(2,4-dichlorophenoxy)-N-[2-(pyridin-3-yloxy)propyl]acetamide

• ChemBase ID: 516427
• Molecular Formular: C16H16Cl2N2O3
• Molecular Mass: 355.21584
• Monoisotopic Mass: 354.05379774
• SMILES: c1(cc(ccc1OCC(=O)NCC(Oc1cnccc1)C)Cl)Cl
• Canonical SMILES: O=C(COc1ccc(cc1Cl)Cl)NCC(Oc1cccnc1)C
• InChI: InChI=1S/C16H16Cl2N2O3/c1-11(23-13-3-2-6-19-9-13)8-20-16(21)10-22-15-5-4-12(17)7-14(15)18/h2-7,9,11H,8,10H2,1H3,(H,20,21)
• InChIKey: ICETZAGQCGPCKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dichlorophenoxy)-N-[2-(pyridin-3-yloxy)propyl]acetamide
• IUPAC Traditional name: 2-(2,4-dichlorophenoxy)-N-[2-(pyridin-3-yloxy)propyl]acetamide
• Synonyms: 2-(2,4-dichlorophenoxy)-N-[2-(3-pyridinyloxy)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.487924
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.693511
• LogD (pH = 7.4): 2.7603884
• Log P: 2.7613328
• Molar Refractivity: 87.7484 cm^3
• Polarizability: 34.61718 Å^3
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.47
• LOG S: -4.75
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 7