2-chloro-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide

• ChemBase ID: 252344
• Molecular Formular: C16H15Cl2NO3
• Molecular Mass: 340.2012
• Monoisotopic Mass: 339.04289871
• SMILES: c1(NC(=O)CCl)c(Oc2ccc(cc2)OCC)ccc(c1)Cl
• Canonical SMILES: CCOc1ccc(cc1)Oc1ccc(cc1NC(=O)CCl)Cl
• InChI: InChI=1S/C16H15Cl2NO3/c1-2-21-12-4-6-13(7-5-12)22-15-8-3-11(18)9-14(15)19-16(20)10-17/h3-9H,2,10H2,1H3,(H,19,20)
• InChIKey: IEYRQDZDIHXTRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide
• Synonyms: 2-chloro-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide

Database IDs

• MDL Number: MFCD09383881
• PubChem SID: 164308254
• PubChem CID: 16227175

CALCULATED PROPERTIES

• Acid pKa: 11.730347
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.0517683
• LogD (pH = 7.4): 4.051749
• Log P: 4.051769
• Molar Refractivity: 87.9316 cm^3
• Polarizability: 33.622505 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.701

Product Information

• Purity: 95%