N-(2,4-dichlorophenyl)-2-(4-hydroxyphenyl)acetamide

• ChemBase ID: 41446
• Molecular Formular: C14H11Cl2NO2
• Molecular Mass: 296.14864
• Monoisotopic Mass: 295.01668396
• SMILES: C(=O)(Nc1c(cc(cc1)Cl)Cl)Cc1ccc(cc1)O
• Canonical SMILES: O=C(Nc1ccc(cc1Cl)Cl)Cc1ccc(cc1)O
• InChI: InChI=1S/C14H11Cl2NO2/c15-10-3-6-13(12(16)8-10)17-14(19)7-9-1-4-11(18)5-2-9/h1-6,8,18H,7H2,(H,17,19)
• InChIKey: ATINRIPFCBDQAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,4-dichlorophenyl)-2-(4-hydroxyphenyl)acetamide
• IUPAC Traditional name: N-(2,4-dichlorophenyl)-2-(4-hydroxyphenyl)acetamide
• Synonyms: N-(2,4-dichlorophenyl)-2-(4-hydroxyphenyl)acetamide; N-(2,4-Dichlorophenyl)-2-(4-hydroxyphenyl)-acetamide

Database IDs

• MDL Number: MFCD03425774
• PubChem SID: 162046209
• PubChem CID: 2763964

CALCULATED PROPERTIES

• Acid pKa: 9.496962
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.9497766
• LogD (pH = 7.4): 3.9463801
• Log P: 3.94982
• Molar Refractivity: 77.2334 cm^3
• Polarizability: 29.183157 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136 - 140 °C; 136-140°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%