2-chloro-N-[4-(4-methylphenoxy)phenyl]acetamide

• ChemBase ID: 243773
• Molecular Formular: C15H14ClNO2
• Molecular Mass: 275.73016
• Monoisotopic Mass: 275.07130637
• SMILES: C(=O)(Nc1ccc(Oc2ccc(cc2)C)cc1)CCl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)Oc1ccc(cc1)C
• InChI: InChI=1S/C15H14ClNO2/c1-11-2-6-13(7-3-11)19-14-8-4-12(5-9-14)17-15(18)10-16/h2-9H,10H2,1H3,(H,17,18)
• InChIKey: ZMANUCNEJSWZJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-(4-methylphenoxy)phenyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[4-(4-methylphenoxy)phenyl]acetamide
• Synonyms: 2-chloro-N-[4-(4-methylphenoxy)phenyl]acetamide

Database IDs

• CAS Number: 38008-32-1
• MDL Number: MFCD00437788
• PubChem SID: 164299683
• PubChem CID: 2306593

CALCULATED PROPERTIES

• Acid pKa: 13.833708
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.7620087
• LogD (pH = 7.4): 3.7620084
• Log P: 3.7620087
• Molar Refractivity: 76.9562 cm^3
• Polarizability: 29.11666 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 158°C
• Hydrophobicity(logP): 4.371

Product Information

• Purity: 95%