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

• ChemBase ID: 239136
• Molecular Formular: C16H16ClNO3
• Molecular Mass: 305.75614
• Monoisotopic Mass: 305.08187106
• SMILES: C(=O)(Nc1ccc(Oc2ccc(cc2)OCC)cc1)CCl
• Canonical SMILES: CCOc1ccc(cc1)Oc1ccc(cc1)NC(=O)CCl
• InChI: InChI=1S/C16H16ClNO3/c1-2-20-13-7-9-15(10-8-13)21-14-5-3-12(4-6-14)18-16(19)11-17/h3-10H,2,11H2,1H3,(H,18,19)
• InChIKey: GHBPTAMJWPTNFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 38008-37-6
• MDL Number: MFCD06362479
• PubChem SID: 164295046
• PubChem CID: 2546251

CALCULATED PROPERTIES

• Acid pKa: 13.833831
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4477239
• LogD (pH = 7.4): 3.4477236
• Log P: 3.4477239
• Molar Refractivity: 83.1268 cm^3
• Polarizability: 31.721373 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.32

Product Information

• Purity: 95%