About N-(2-chlorophenyl)-2-iodobenzamide
N-(2-chlorophenyl)-2-iodobenzamide (PubChem CID 1105942) has the molecular formula C13H9ClINO
and a molecular weight of 357.58 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-iodobenzamide.
Molecular Properties
| Compound Name | N-(2-chlorophenyl)-2-iodobenzamide |
| PubChem CID | 1105942 |
| Molecular Formula | C13H9ClINO |
| Molecular Weight | 357.58 g/mol |
| Exact Mass | 356.94 |
| IUPAC Name | N-(2-chlorophenyl)-2-iodobenzamide |
| SMILES | O=C(Nc1ccccc1Cl)c1ccccc1I |
| InChI | InChI=1S/C13H9ClINO/c14-10-6-2-4-8-12(10)16-13(17)9-5-1-3-7-11(9)15/h1-8H,(H,16,17) |
| InChIKey | JWIBWYAPVTUQDU-UHFFFAOYSA-N |
| XLogP | 4.20 |
| TPSA | 29.10 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 357.58 |
| LogP ≤ 5 | 4.20 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(2-chlorophenyl)-2-iodobenzamide?
The IUPAC name of N-(2-chlorophenyl)-2-iodobenzamide (CID 1105942) is N-(2-chlorophenyl)-2-iodobenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-iodobenzamide?
The canonical SMILES for N-(2-chlorophenyl)-2-iodobenzamide is O=C(Nc1ccccc1Cl)c1ccccc1I.
What is the InChIKey of N-(2-chlorophenyl)-2-iodobenzamide?
The InChIKey is JWIBWYAPVTUQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClINO/c14-10-6-2-4-8-12(10)16-13(17)9-5-1-3-7-11(9)15/h1-8H,(H,16,17).
What are the key properties of N-(2-chlorophenyl)-2-iodobenzamide?
N-(2-chlorophenyl)-2-iodobenzamide has a molecular weight of 357.58 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-iodobenzamide is sourced from PubChem (CID 1105942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).