4-iodo-N,N-dimethylbenzamide

• ChemBase ID: 179994
• Molecular Formular: C9H10INO
• Molecular Mass: 275.08627
• Monoisotopic Mass: 274.98071195
• SMILES: C(=O)(c1ccc(cc1)I)N(C)C
• Canonical SMILES: CN(C(=O)c1ccc(cc1)I)C
• InChI: InChI=1S/C9H10INO/c1-11(2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3
• InChIKey: ZPTKPSCMQWCYSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-iodo-N,N-dimethylbenzamide
• IUPAC Traditional name: 4-iodo-N,N-dimethylbenzamide
• Synonyms: 4-Iodo-N,N-dimethylbenzamide

Database IDs

• CAS Number: 24167-53-1
• PubChem SID: 164235904
• PubChem CID: 879933

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2001824
• LogD (pH = 7.4): 2.2001827
• Log P: 2.2001827
• Molar Refractivity: 58.2923 cm^3
• Polarizability: 22.01253 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true