N-(3,5-dibromophenyl)-2,2-dimethylpropanamide

• ChemBase ID: 290986
• Molecular Formular: C11H13Br2NO
• Molecular Mass: 335.03502
• Monoisotopic Mass: 332.93638804
• SMILES: CC(C)(C)C(=O)Nc1cc(Br)cc(Br)c1
• Canonical SMILES: O=C(C(C)(C)C)Nc1cc(Br)cc(c1)Br
• InChI: InChI=1S/C11H13Br2NO/c1-11(2,3)10(15)14-9-5-7(12)4-8(13)6-9/h4-6H,1-3H3,(H,14,15)
• InChIKey: FQRDVBBRQWCCSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,5-dibromophenyl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-(3,5-dibromophenyl)-2,2-dimethylpropanamide
• Synonyms: N-(3,5-Dibromophenyl)pivalamide

Database IDs

• CAS Number: 1020252-74-7
• PubChem SID: 180676517
• PubChem CID: 46738708

CALCULATED PROPERTIES

• Acid pKa: 13.436874
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.547998
• LogD (pH = 7.4): 4.5479975
• Log P: 4.547998
• Molar Refractivity: 69.869 cm^3
• Polarizability: 26.477837 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%