N-benzyl-2-bromo-N-methylacetamide

• ChemBase ID: 242509
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: C(=O)(N(Cc1ccccc1)C)CBr
• Canonical SMILES: BrCC(=O)N(Cc1ccccc1)C
• InChI: InChI=1S/C10H12BrNO/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
• InChIKey: XIBVVIAYYYFAAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-bromo-N-methylacetamide
• IUPAC Traditional name: N-benzyl-2-bromo-N-methylacetamide
• Synonyms: N-benzyl-2-bromo-N-methylacetamide

Database IDs

• MDL Number: MFCD02751705
• PubChem SID: 164298419
• PubChem CID: 150681

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.864376
• LogD (pH = 7.4): 1.864376
• Log P: 1.864376
• Molar Refractivity: 56.6086 cm^3
• Polarizability: 21.588158 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.719

Product Information

• Purity: 95%