2-(2-iodo-5-methoxyphenyl)-N,N-dimethylacetamide

• ChemBase ID: 171680
• Molecular Formular: C11H14INO2
• Molecular Mass: 319.13883
• Monoisotopic Mass: 319.00692669
• SMILES: c1cc(c(cc1OC)CC(=O)N(C)C)I
• Canonical SMILES: COc1ccc(c(c1)CC(=O)N(C)C)I
• InChI: InChI=1S/C11H14INO2/c1-13(2)11(14)7-8-6-9(15-3)4-5-10(8)12/h4-6H,7H2,1-3H3
• InChIKey: MCNOFYYFRXRROA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-iodo-5-methoxyphenyl)-N,N-dimethylacetamide
• IUPAC Traditional name: 2-(2-iodo-5-methoxyphenyl)-N,N-dimethylacetamide
• Synonyms: 2-Iodo-5-methoxy-N,N-dimethylbenzeneacetamide; 2-(2-Iodo-5-methoxy-phenyl)-N,N-dimethyl-acetamide

Database IDs

• CAS Number: 99540-20-2
• PubChem SID: 164227590
• PubChem CID: 14025497

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.022677
• Log P: 2.022677
• Molar Refractivity: 68.8069 cm^3
• Polarizability: 26.579973 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0226767

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate; Ethyl Ether,
• Apperance: Off-White Solid