2-amino-N-(2,6-dichlorophenyl)acetamide

• ChemBase ID: 123996
• Molecular Formular: C8H8Cl2N2O
• Molecular Mass: 219.06792
• Monoisotopic Mass: 218.00136825
• SMILES: c1(NC(=O)CN)c(Cl)cccc1Cl
• Canonical SMILES: NCC(=O)Nc1c(Cl)cccc1Cl
• InChI: InChI=1S/C8H8Cl2N2O/c9-5-2-1-3-6(10)8(5)12-7(13)4-11/h1-3H,4,11H2,(H,12,13)
• InChIKey: HHUFLAVESWRHIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2,6-dichlorophenyl)acetamide
• IUPAC Traditional name: 2-amino-N-(2,6-dichlorophenyl)acetamide
• Synonyms: 2-amino-N-(2,6-dichlorophenyl)acetamide

Database IDs

• PubChem SID: 162218349
• PubChem CID: 49947

CALCULATED PROPERTIES

• Acid pKa: 11.377415
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.8780389
• LogD (pH = 7.4): 0.8160399
• Log P: 1.4949157
• Molar Refractivity: 53.8903 cm^3
• Polarizability: 20.564713 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true