2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide

• ChemBase ID: 237873
• Molecular Formular: C10H12Cl2N2O
• Molecular Mass: 247.12108
• Monoisotopic Mass: 246.03266837
• SMILES: c1(c(ccc(c1)Cl)N(C)C)NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1cc(Cl)ccc1N(C)C
• InChI: InChI=1S/C10H12Cl2N2O/c1-14(2)9-4-3-7(12)5-8(9)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)
• InChIKey: PQNBMJMKWPZFCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06655108
• PubChem SID: 164293783
• PubChem CID: 3710309

CALCULATED PROPERTIES

• Acid pKa: 12.90402
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4591374
• LogD (pH = 7.4): 2.4603715
• Log P: 2.4603884
• Molar Refractivity: 64.9076 cm^3
• Polarizability: 23.769848 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.961

Product Information

• Purity: 95%