2-chloro-N-[4-(3-methylphenoxy)phenyl]acetamide

• ChemBase ID: 251204
• Molecular Formular: C15H14ClNO2
• Molecular Mass: 275.73016
• Monoisotopic Mass: 275.07130637
• SMILES: C(=O)(Nc1ccc(Oc2cc(ccc2)C)cc1)CCl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)Oc1cccc(c1)C
• InChI: InChI=1S/C15H14ClNO2/c1-11-3-2-4-14(9-11)19-13-7-5-12(6-8-13)17-15(18)10-16/h2-9H,10H2,1H3,(H,17,18)
• InChIKey: LKKVQLUPJCNHKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-(3-methylphenoxy)phenyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[4-(3-methylphenoxy)phenyl]acetamide
• Synonyms: 2-chloro-N-[4-(3-methylphenoxy)phenyl]acetamide

Database IDs

• CAS Number: 69838-52-4
• MDL Number: MFCD08691079
• PubChem SID: 164307114
• PubChem CID: 12604383

CALCULATED PROPERTIES

• Acid pKa: 13.833427
• 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: 29.11726 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.371

Product Information

• Purity: 95%