About 4-hydroxy-N-(4-hydroxyphenyl)benzamide
4-hydroxy-N-(4-hydroxyphenyl)benzamide (PubChem CID 950480) has the molecular formula C13H11NO3
and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-hydroxy-N-(4-hydroxyphenyl)benzamide.
Molecular Properties
| Compound Name | 4-hydroxy-N-(4-hydroxyphenyl)benzamide |
| PubChem CID | 950480 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.24 g/mol |
| Exact Mass | 229.07 |
| IUPAC Name | 4-hydroxy-N-(4-hydroxyphenyl)benzamide |
| SMILES | O=C(Nc1ccc(O)cc1)c1ccc(O)cc1 |
| InChI | InChI=1S/C13H11NO3/c15-11-5-1-9(2-6-11)13(17)14-10-3-7-12(16)8-4-10/h1-8,15-16H,(H,14,17) |
| InChIKey | WCTPJCYSFNTVKJ-UHFFFAOYSA-N |
| XLogP | 2.35 |
| TPSA | 69.56 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 229.24 |
| LogP ≤ 5 | 2.35 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroquinone', 'substructure': 'N/A'} |
|---|
Analyze 4-hydroxy-N-(4-hydroxyphenyl)benzamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 4-hydroxy-N-(4-hydroxyphenyl)benzamide?
The IUPAC name of 4-hydroxy-N-(4-hydroxyphenyl)benzamide (CID 950480) is 4-hydroxy-N-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-hydroxy-N-(4-hydroxyphenyl)benzamide?
The canonical SMILES for 4-hydroxy-N-(4-hydroxyphenyl)benzamide is O=C(Nc1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(4-hydroxyphenyl)benzamide?
The InChIKey is WCTPJCYSFNTVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-11-5-1-9(2-6-11)13(17)14-10-3-7-12(16)8-4-10/h1-8,15-16H,(H,14,17).
What are the key properties of 4-hydroxy-N-(4-hydroxyphenyl)benzamide?
4-hydroxy-N-(4-hydroxyphenyl)benzamide has a molecular weight of 229.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 950480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).