N-(4-acetylphenyl)-2,4-dichlorobenzamide

• ChemBase ID: 27446
• Molecular Formular: C15H11Cl2NO2
• Molecular Mass: 308.15934
• Monoisotopic Mass: 307.01668396
• SMILES: c1(C(=O)Nc2ccc(C(=O)C)cc2)c(cc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)C(=O)Nc1ccc(cc1)C(=O)C
• InChI: InChI=1S/C15H11Cl2NO2/c1-9(19)10-2-5-12(6-3-10)18-15(20)13-7-4-11(16)8-14(13)17/h2-8H,1H3,(H,18,20)
• InChIKey: XEIPRJCDIRWOCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-acetylphenyl)-2,4-dichlorobenzamide
• IUPAC Traditional name: N-(4-acetylphenyl)-2,4-dichlorobenzamide
• Synonyms: N-(4-Acetylphenyl)-2,4-dichlorobenzamide

Database IDs

• MDL Number: MFCD00427199
• PubChem SID: 160990753
• PubChem CID: 699345

CALCULATED PROPERTIES

• Acid pKa: 10.951696
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.830866
• LogD (pH = 7.4): 3.8307517
• Log P: 3.8308675
• Molar Refractivity: 81.6039 cm^3
• Polarizability: 30.459173 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false