2-(4-chlorophenyl)-N-methyl-2-(methylamino)acetamide

• ChemBase ID: 253083
• Molecular Formular: C10H13ClN2O
• Molecular Mass: 212.67602
• Monoisotopic Mass: 212.07164073
• SMILES: C(=O)(C(c1ccc(cc1)Cl)NC)NC
• Canonical SMILES: CNC(c1ccc(cc1)Cl)C(=O)NC
• InChI: InChI=1S/C10H13ClN2O/c1-12-9(10(14)13-2)7-3-5-8(11)6-4-7/h3-6,9,12H,1-2H3,(H,13,14)
• InChIKey: ODSUDGUYWWIADP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-N-methyl-2-(methylamino)acetamide
• IUPAC Traditional name: 2-(4-chlorophenyl)-N-methyl-2-(methylamino)acetamide
• Synonyms: 2-(4-chlorophenyl)-N-methyl-2-(methylamino)acetamide

Database IDs

• MDL Number: MFCD08691343
• PubChem SID: 164308993
• PubChem CID: 16227606

CALCULATED PROPERTIES

• Acid pKa: 14.610334
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.265736
• LogD (pH = 7.4): 0.46846417
• Log P: 1.2423123
• Molar Refractivity: 56.6596 cm^3
• Polarizability: 22.290892 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.246

Product Information

• Purity: 95%