About 2-hydroxy-N-[4-(trifluoromethyl)benzoyl]benzamide
2-hydroxy-N-[4-(trifluoromethyl)benzoyl]benzamide (PubChem CID 2814498) has the molecular formula C15H10F3NO3
and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-hydroxy-N-[4-(trifluoromethyl)benzoyl]benzamide.
Molecular Properties
| Compound Name | 2-hydroxy-N-[4-(trifluoromethyl)benzoyl]benzamide |
| PubChem CID | 2814498 |
| Molecular Formula | C15H10F3NO3 |
| Molecular Weight | 309.24 g/mol |
| Exact Mass | 309.06 |
| IUPAC Name | 2-hydroxy-N-[4-(trifluoromethyl)benzoyl]benzamide |
| SMILES | O=C(NC(=O)c1ccccc1O)c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C15H10F3NO3/c16-15(17,18)10-7-5-9(6-8-10)13(21)19-14(22)11-3-1-2-4-12(11)20/h1-8,20H,(H,19,21,22) |
| InChIKey | UHQHSGCKGVRYHM-UHFFFAOYSA-N |
| XLogP | 2.98 |
| TPSA | 66.40 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 309.24 |
| LogP ≤ 5 | 2.98 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-hydroxy-N-[4-(trifluoromethyl)benzoyl]benzamide?
The IUPAC name of 2-hydroxy-N-[4-(trifluoromethyl)benzoyl]benzamide (CID 2814498) is 2-hydroxy-N-[4-(trifluoromethyl)benzoyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[4-(trifluoromethyl)benzoyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[4-(trifluoromethyl)benzoyl]benzamide is O=C(NC(=O)c1ccccc1O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-hydroxy-N-[4-(trifluoromethyl)benzoyl]benzamide?
The InChIKey is UHQHSGCKGVRYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO3/c16-15(17,18)10-7-5-9(6-8-10)13(21)19-14(22)11-3-1-2-4-12(11)20/h1-8,20H,(H,19,21,22).
What are the key properties of 2-hydroxy-N-[4-(trifluoromethyl)benzoyl]benzamide?
2-hydroxy-N-[4-(trifluoromethyl)benzoyl]benzamide has a molecular weight of 309.24 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[4-(trifluoromethyl)benzoyl]benzamide is sourced from PubChem (CID 2814498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).