About N-hydroxy-2-phenyl-4-(4-phenylanilino)benzamide
N-hydroxy-2-phenyl-4-(4-phenylanilino)benzamide (PubChem CID 171408668) has the molecular formula C25H20N2O2
and a molecular weight of 380.45 g/mol. Its IUPAC name is N-hydroxy-2-phenyl-4-(4-phenylanilino)benzamide.
Molecular Properties
| Compound Name | N-hydroxy-2-phenyl-4-(4-phenylanilino)benzamide |
| PubChem CID | 171408668 |
| Molecular Formula | C25H20N2O2 |
| Molecular Weight | 380.45 g/mol |
| Exact Mass | 380.15 |
| IUPAC Name | N-hydroxy-2-phenyl-4-(4-phenylanilino)benzamide |
| SMILES | O=C(NO)c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1 |
| InChI | InChI=1S/C25H20N2O2/c28-25(27-29)23-16-15-22(17-24(23)20-9-5-2-6-10-20)26-21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-17,26,29H,(H,27,28) |
| InChIKey | PTTLUEGHWBFPHF-UHFFFAOYSA-N |
| XLogP | 5.88 |
| TPSA | 61.36 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 29 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 380.45 |
| LogP ≤ 5 | 5.88 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-hydroxy-2-phenyl-4-(4-phenylanilino)benzamide?
The IUPAC name of N-hydroxy-2-phenyl-4-(4-phenylanilino)benzamide (CID 171408668) is N-hydroxy-2-phenyl-4-(4-phenylanilino)benzamide.
What is the SMILES notation for N-hydroxy-2-phenyl-4-(4-phenylanilino)benzamide?
The canonical SMILES for N-hydroxy-2-phenyl-4-(4-phenylanilino)benzamide is O=C(NO)c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1.
What is the InChIKey of N-hydroxy-2-phenyl-4-(4-phenylanilino)benzamide?
The InChIKey is PTTLUEGHWBFPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c28-25(27-29)23-16-15-22(17-24(23)20-9-5-2-6-10-20)26-21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-17,26,29H,(H,27,28).
What are the key properties of N-hydroxy-2-phenyl-4-(4-phenylanilino)benzamide?
N-hydroxy-2-phenyl-4-(4-phenylanilino)benzamide has a molecular weight of 380.45 g/mol, XLogP of 5.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-phenyl-4-(4-phenylanilino)benzamide is sourced from PubChem (CID 171408668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).