2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide

• ChemBase ID: 260719
• Molecular Formular: C10H10Cl3NO
• Molecular Mass: 266.5515
• Monoisotopic Mass: 264.98279699
• SMILES: C(=O)(N(Cc1cc(cc(c1)Cl)Cl)C)CCl
• Canonical SMILES: ClCC(=O)N(Cc1cc(Cl)cc(c1)Cl)C
• InChI: InChI=1S/C10H10Cl3NO/c1-14(10(15)5-11)6-7-2-8(12)4-9(13)3-7/h2-4H,5-6H2,1H3
• InChIKey: IHXUALQEZXKETO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
• IUPAC Traditional name: 2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
• Synonyms: 2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide

Database IDs

• MDL Number: MFCD12762693
• PubChem SID: 164316629
• PubChem CID: 50988959

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.88697
• LogD (pH = 7.4): 2.88697
• Log P: 2.88697
• Molar Refractivity: 63.2347 cm^3
• Polarizability: 24.562449 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.005

Product Information

• Purity: 95%