N-[(2-bromophenyl)methyl]-2-chloro-N-methylacetamide

• ChemBase ID: 249296
• Molecular Formular: C10H11BrClNO
• Molecular Mass: 276.55744
• Monoisotopic Mass: 274.97125366
• SMILES: N(C(=O)CCl)(Cc1c(Br)cccc1)C
• Canonical SMILES: ClCC(=O)N(Cc1ccccc1Br)C
• InChI: InChI=1S/C10H11BrClNO/c1-13(10(14)6-12)7-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3
• InChIKey: YUFDWBRCRGFBER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-bromophenyl)methyl]-2-chloro-N-methylacetamide
• IUPAC Traditional name: N-[(2-bromophenyl)methyl]-2-chloro-N-methylacetamide
• Synonyms: N-(2-bromobenzyl)-2-chloro-N-methylacetamide

Database IDs

• MDL Number: MFCD06655685
• PubChem SID: 164305206
• PubChem CID: 4962258

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4476333
• LogD (pH = 7.4): 2.4476333
• Log P: 2.4476333
• Molar Refractivity: 61.2479 cm^3
• Polarizability: 23.594065 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.442

Product Information

• Purity: 95%