2-chloro-2-methylpropanamide

• ChemBase ID: 242275
• Molecular Formular: C4H8ClNO
• Molecular Mass: 121.56542
• Monoisotopic Mass: 121.02944156
• SMILES: C(=O)(C(Cl)(C)C)N
• Canonical SMILES: NC(=O)C(Cl)(C)C
• InChI: InChI=1S/C4H8ClNO/c1-4(2,5)3(6)7/h1-2H3,(H2,6,7)
• InChIKey: VBHAMZALZRNLCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-2-methylpropanamide
• IUPAC Traditional name: 2-chloro-2-methylpropanamide
• Synonyms: 2-chloro-2-methylpropanamide

Database IDs

• MDL Number: MFCD19203581
• PubChem SID: 164298185
• PubChem CID: 344970

CALCULATED PROPERTIES

• Acid pKa: 13.423479
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.50858563
• LogD (pH = 7.4): 0.508586
• Log P: 0.50858563
• Molar Refractivity: 28.4263 cm^3
• Polarizability: 11.207776 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.337

Product Information

• Purity: 95%