2-(4-formyl-2-methoxyphenoxy)-N-(2-phenylphenyl)acetamide

• ChemBase ID: 14107
• Molecular Formular: C22H19NO4
• Molecular Mass: 361.39056
• Monoisotopic Mass: 361.13140809
• SMILES: c1(c(NC(=O)COc2c(cc(cc2)C=O)OC)cccc1)c1ccccc1
• Canonical SMILES: O=Cc1ccc(c(c1)OC)OCC(=O)Nc1ccccc1c1ccccc1
• InChI: InChI=1S/C22H19NO4/c1-26-21-13-16(14-24)11-12-20(21)27-15-22(25)23-19-10-6-5-9-18(19)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)
• InChIKey: BDHIUCWLCZQDPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-formyl-2-methoxyphenoxy)-N-(2-phenylphenyl)acetamide
• IUPAC Traditional name: 2-(4-formyl-2-methoxyphenoxy)-N-(2-phenylphenyl)acetamide
• Synonyms: 2-(4-Formyl-2-methoxyphenoxy)acetic acid N-(2-biphenylyl)amide

Database IDs

• MDL Number: MFCD01326066
• PubChem SID: 160977414
• PubChem CID: 1132562

CALCULATED PROPERTIES

• Acid pKa: 12.289587
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.9299161
• LogD (pH = 7.4): 3.929911
• Log P: 3.9299161
• Molar Refractivity: 105.0665 cm^3
• Polarizability: 40.84839 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false