About 2-(4-fluoro-3-methylphenyl)-N-(2-fluorophenyl)-2-oxoacetamide
2-(4-fluoro-3-methylphenyl)-N-(2-fluorophenyl)-2-oxoacetamide (PubChem CID 94283587) has the molecular formula C15H11F2NO2
and a molecular weight of 275.25 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-N-(2-fluorophenyl)-2-oxoacetamide.
Molecular Properties
| Compound Name | 2-(4-fluoro-3-methylphenyl)-N-(2-fluorophenyl)-2-oxoacetamide |
| PubChem CID | 94283587 |
| Molecular Formula | C15H11F2NO2 |
| Molecular Weight | 275.25 g/mol |
| Exact Mass | 275.08 |
| IUPAC Name | 2-(4-fluoro-3-methylphenyl)-N-(2-fluorophenyl)-2-oxoacetamide |
| SMILES | Cc1cc(C(=O)C(=O)Nc2ccccc2F)ccc1F |
| InChI | InChI=1S/C15H11F2NO2/c1-9-8-10(6-7-11(9)16)14(19)15(20)18-13-5-3-2-4-12(13)17/h2-8H,1H3,(H,18,20) |
| InChIKey | QMDCIXOPBVXUJY-UHFFFAOYSA-N |
| XLogP | 3.09 |
| TPSA | 46.17 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 275.25 |
| LogP ≤ 5 | 3.09 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-N-(2-fluorophenyl)-2-oxoacetamide?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-N-(2-fluorophenyl)-2-oxoacetamide (CID 94283587) is 2-(4-fluoro-3-methylphenyl)-N-(2-fluorophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-N-(2-fluorophenyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-N-(2-fluorophenyl)-2-oxoacetamide is Cc1cc(C(=O)C(=O)Nc2ccccc2F)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-N-(2-fluorophenyl)-2-oxoacetamide?
The InChIKey is QMDCIXOPBVXUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c1-9-8-10(6-7-11(9)16)14(19)15(20)18-13-5-3-2-4-12(13)17/h2-8H,1H3,(H,18,20).
What are the key properties of 2-(4-fluoro-3-methylphenyl)-N-(2-fluorophenyl)-2-oxoacetamide?
2-(4-fluoro-3-methylphenyl)-N-(2-fluorophenyl)-2-oxoacetamide has a molecular weight of 275.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-N-(2-fluorophenyl)-2-oxoacetamide is sourced from PubChem (CID 94283587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).