N-[4-(2-butoxyacetamido)-2-chlorophenyl]propanamide

• ChemBase ID: 556708
• Molecular Formular: C15H21ClN2O3
• Molecular Mass: 312.79184
• Monoisotopic Mass: 312.12407022
• SMILES: N(c1c(cc(NC(=O)COCCCC)cc1)Cl)C(=O)CC
• Canonical SMILES: CCCCOCC(=O)Nc1ccc(c(c1)Cl)NC(=O)CC
• InChI: InChI=1S/C15H21ClN2O3/c1-3-5-8-21-10-15(20)17-11-6-7-13(12(16)9-11)18-14(19)4-2/h6-7,9H,3-5,8,10H2,1-2H3,(H,17,20)(H,18,19)
• InChIKey: LJSLMMNJOQCCAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(2-butoxyacetamido)-2-chlorophenyl]propanamide
• IUPAC Traditional name: N-[4-(2-butoxyacetamido)-2-chlorophenyl]propanamide
• Synonyms: N-{4-[(butoxyacetyl)amino]-2-chlorophenyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.547667
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.9030244
• LogD (pH = 7.4): 2.9030216
• Log P: 2.9030244
• Molar Refractivity: 85.5427 cm^3
• Polarizability: 31.905956 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.15
• LOG S: -3.32
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 8