About 2-benzhydryloxy-N-(2-hydroxyphenyl)acetamide
2-benzhydryloxy-N-(2-hydroxyphenyl)acetamide (PubChem CID 51284445) has the molecular formula C21H19NO3
and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-benzhydryloxy-N-(2-hydroxyphenyl)acetamide.
Molecular Properties
| Compound Name | 2-benzhydryloxy-N-(2-hydroxyphenyl)acetamide |
| PubChem CID | 51284445 |
| Molecular Formula | C21H19NO3 |
| Molecular Weight | 333.39 g/mol |
| Exact Mass | 333.14 |
| IUPAC Name | 2-benzhydryloxy-N-(2-hydroxyphenyl)acetamide |
| SMILES | O=C(COC(c1ccccc1)c1ccccc1)Nc1ccccc1O |
| InChI | InChI=1S/C21H19NO3/c23-19-14-8-7-13-18(19)22-20(24)15-25-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21,23H,15H2,(H,22,24) |
| InChIKey | BNMCHERZFVPRRO-UHFFFAOYSA-N |
| XLogP | 4.14 |
| TPSA | 58.56 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 25 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 333.39 |
| LogP ≤ 5 | 4.14 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'catechol', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of 2-benzhydryloxy-N-(2-hydroxyphenyl)acetamide?
The IUPAC name of 2-benzhydryloxy-N-(2-hydroxyphenyl)acetamide (CID 51284445) is 2-benzhydryloxy-N-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-benzhydryloxy-N-(2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-benzhydryloxy-N-(2-hydroxyphenyl)acetamide is O=C(COC(c1ccccc1)c1ccccc1)Nc1ccccc1O.
What is the InChIKey of 2-benzhydryloxy-N-(2-hydroxyphenyl)acetamide?
The InChIKey is BNMCHERZFVPRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-19-14-8-7-13-18(19)22-20(24)15-25-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21,23H,15H2,(H,22,24).
What are the key properties of 2-benzhydryloxy-N-(2-hydroxyphenyl)acetamide?
2-benzhydryloxy-N-(2-hydroxyphenyl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-N-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 51284445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).