2-bromo-N-tert-butylpropanamide

• ChemBase ID: 307841
• Molecular Formular: C7H14BrNO
• Molecular Mass: 208.09616
• Monoisotopic Mass: 207.02587607
• SMILES: C(=O)(NC(C)(C)C)C(Br)C
• Canonical SMILES: O=C(C(Br)C)NC(C)(C)C
• InChI: InChI=1S/C7H14BrNO/c1-5(8)6(10)9-7(2,3)4/h5H,1-4H3,(H,9,10)
• InChIKey: ASGVEEBOYNWWJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-tert-butylpropanamide
• IUPAC Traditional name: 2-bromo-N-tert-butylpropanamide
• Synonyms: 2-bromo-N-(tert-butyl)propanamide

Database IDs

• CAS Number: 94318-80-6
• MDL Number: MFCD02752263

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5389507
• LogD (pH = 7.4): 1.5389502
• Log P: 1.5389507
• Molar Refractivity: 45.3988 cm^3
• Polarizability: 17.615442 Å^3
• Polar Surface Area: 29.1 Å^2