N-[2-(4-bromophenoxy)ethyl]-2-chloro-N-methylacetamide

• ChemBase ID: 251493
• Molecular Formular: C11H13BrClNO2
• Molecular Mass: 306.58342
• Monoisotopic Mass: 304.98181834
• SMILES: C(=O)(N(CCOc1ccc(Br)cc1)C)CCl
• Canonical SMILES: ClCC(=O)N(CCOc1ccc(cc1)Br)C
• InChI: InChI=1S/C11H13BrClNO2/c1-14(11(15)8-13)6-7-16-10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3
• InChIKey: JGPHBCJWWFOBPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-bromophenoxy)ethyl]-2-chloro-N-methylacetamide
• IUPAC Traditional name: N-[2-(4-bromophenoxy)ethyl]-2-chloro-N-methylacetamide
• Synonyms: N-[2-(4-bromophenoxy)ethyl]-2-chloro-N-methylacetamide

Database IDs

• MDL Number: MFCD09040343
• PubChem SID: 164307403
• PubChem CID: 16226879

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.36721
• LogD (pH = 7.4): 2.36721
• Log P: 2.36721
• Molar Refractivity: 67.1875 cm^3
• Polarizability: 26.159325 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.169

Product Information

• Purity: 95%