2-(4-formylphenoxy)-N-phenylacetamide

• ChemBase ID: 259465
• Molecular Formular: C15H13NO3
• Molecular Mass: 255.26862
• Monoisotopic Mass: 255.08954328
• SMILES: C(=O)(Nc1ccccc1)COc1ccc(C=O)cc1
• Canonical SMILES: O=Cc1ccc(cc1)OCC(=O)Nc1ccccc1
• InChI: InChI=1S/C15H13NO3/c17-10-12-6-8-14(9-7-12)19-11-15(18)16-13-4-2-1-3-5-13/h1-10H,11H2,(H,16,18)
• InChIKey: WTFBRNOSAWNLFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-formylphenoxy)-N-phenylacetamide
• IUPAC Traditional name: 2-(4-formylphenoxy)-N-phenylacetamide
• Synonyms: 2-(4-formylphenoxy)-N-phenylacetamide

Database IDs

• MDL Number: MFCD02629645
• PubChem SID: 164315375
• PubChem CID: 882858

CALCULATED PROPERTIES

• Acid pKa: 12.578982
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.440362
• LogD (pH = 7.4): 2.4403594
• Log P: 2.4403622
• Molar Refractivity: 73.4671 cm^3
• Polarizability: 27.370596 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125 - 127°C
• Hydrophobicity(logP): 2.395

Product Information

• Purity: 95%