2-(2-chloroacetamido)-N-methyl-2-phenylacetamide

• ChemBase ID: 260744
• Molecular Formular: C11H13ClN2O2
• Molecular Mass: 240.68612
• Monoisotopic Mass: 240.06655535
• SMILES: C(C(=O)NC)(NC(=O)CCl)c1ccccc1
• Canonical SMILES: ClCC(=O)NC(c1ccccc1)C(=O)NC
• InChI: InChI=1S/C11H13ClN2O2/c1-13-11(16)10(14-9(15)7-12)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,13,16)(H,14,15)
• InChIKey: HZDLPDXDCXPVBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloroacetamido)-N-methyl-2-phenylacetamide
• IUPAC Traditional name: 2-(2-chloroacetamido)-N-methyl-2-phenylacetamide
• Synonyms: 2-(2-chloroacetamido)-N-methyl-2-phenylacetamide

Database IDs

• MDL Number: MFCD18380591
• PubChem SID: 164316654
• PubChem CID: 12991293

CALCULATED PROPERTIES

• Acid pKa: 9.92166
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.5618631
• LogD (pH = 7.4): 0.5607221
• Log P: 0.5618777
• Molar Refractivity: 61.2772 cm^3
• Polarizability: 23.81355 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.765

Product Information

• Purity: 95%