2-chloro-N-(5-acetamido-2-methoxyphenyl)acetamide

• ChemBase ID: 251788
• Molecular Formular: C11H13ClN2O3
• Molecular Mass: 256.68552
• Monoisotopic Mass: 256.06146997
• SMILES: c1(NC(=O)CCl)cc(NC(=O)C)ccc1OC
• Canonical SMILES: ClCC(=O)Nc1cc(ccc1OC)NC(=O)C
• InChI: InChI=1S/C11H13ClN2O3/c1-7(15)13-8-3-4-10(17-2)9(5-8)14-11(16)6-12/h3-5H,6H2,1-2H3,(H,13,15)(H,14,16)
• InChIKey: CUMHBSLZFPHMTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(5-acetamido-2-methoxyphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(5-acetamido-2-methoxyphenyl)acetamide
• Synonyms: N-[5-(acetylamino)-2-methoxyphenyl]-2-chloroacetamide

Database IDs

• MDL Number: MFCD04069123
• PubChem SID: 164307698
• PubChem CID: 4655518

CALCULATED PROPERTIES

• Acid pKa: 11.8469
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8283389
• LogD (pH = 7.4): 0.8283244
• Log P: 0.8283391
• Molar Refractivity: 67.0004 cm^3
• Polarizability: 24.516739 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.325

Product Information

• Purity: 95%