2-bromo-N,N,3-trimethylbutanamide

• ChemBase ID: 264379
• Molecular Formular: C7H14BrNO
• Molecular Mass: 208.09616
• Monoisotopic Mass: 207.02587607
• SMILES: C(=O)(C(Br)C(C)C)N(C)C
• Canonical SMILES: CC(C(C(=O)N(C)C)Br)C
• InChI: InChI=1S/C7H14BrNO/c1-5(2)6(8)7(10)9(3)4/h5-6H,1-4H3
• InChIKey: POEPTKGZCYUKLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N,N,3-trimethylbutanamide
• IUPAC Traditional name: 2-bromo-N,N,3-trimethylbutanamide
• Synonyms: 2-bromo-N,N,3-trimethylbutanamide

Database IDs

• MDL Number: MFCD09813946
• PubChem SID: 164320289
• PubChem CID: 547487

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5961623
• LogD (pH = 7.4): 1.5961623
• Log P: 1.5961623
• Molar Refractivity: 45.4855 cm^3
• Polarizability: 17.615715 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.408

Product Information

• Purity: 95%