About 2-(4-chlorophenyl)-N-(3-fluoro-2-iodophenyl)acetamide
2-(4-chlorophenyl)-N-(3-fluoro-2-iodophenyl)acetamide (PubChem CID 113340918) has the molecular formula C14H10ClFINO
and a molecular weight of 389.60 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-fluoro-2-iodophenyl)acetamide.
Molecular Properties
| Compound Name | 2-(4-chlorophenyl)-N-(3-fluoro-2-iodophenyl)acetamide |
| PubChem CID | 113340918 |
| Molecular Formula | C14H10ClFINO |
| Molecular Weight | 389.60 g/mol |
| Exact Mass | 388.95 |
| IUPAC Name | 2-(4-chlorophenyl)-N-(3-fluoro-2-iodophenyl)acetamide |
| SMILES | O=C(Cc1ccc(Cl)cc1)Nc1cccc(F)c1I |
| InChI | InChI=1S/C14H10ClFINO/c15-10-6-4-9(5-7-10)8-13(19)18-12-3-1-2-11(16)14(12)17/h1-7H,8H2,(H,18,19) |
| InChIKey | UFYLDHVRCAZNDV-UHFFFAOYSA-N |
| XLogP | 4.26 |
| TPSA | 29.10 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 389.60 |
| LogP ≤ 5 | 4.26 |
| 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 2-(4-chlorophenyl)-N-(3-fluoro-2-iodophenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-fluoro-2-iodophenyl)acetamide (CID 113340918) is 2-(4-chlorophenyl)-N-(3-fluoro-2-iodophenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-fluoro-2-iodophenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-fluoro-2-iodophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cccc(F)c1I.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-fluoro-2-iodophenyl)acetamide?
The InChIKey is UFYLDHVRCAZNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFINO/c15-10-6-4-9(5-7-10)8-13(19)18-12-3-1-2-11(16)14(12)17/h1-7H,8H2,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)-N-(3-fluoro-2-iodophenyl)acetamide?
2-(4-chlorophenyl)-N-(3-fluoro-2-iodophenyl)acetamide has a molecular weight of 389.60 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-fluoro-2-iodophenyl)acetamide is sourced from PubChem (CID 113340918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).