About 2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide (PubChem CID 9323790) has the molecular formula C14H12FNO3
and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide.
Molecular Properties
| Compound Name | 2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide |
| PubChem CID | 9323790 |
| Molecular Formula | C14H12FNO3 |
| Molecular Weight | 261.25 g/mol |
| Exact Mass | 261.08 |
| IUPAC Name | 2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide |
| SMILES | O=C(COc1ccc(F)cc1)Nc1ccc(O)cc1 |
| InChI | InChI=1S/C14H12FNO3/c15-10-1-7-13(8-2-10)19-9-14(18)16-11-3-5-12(17)6-4-11/h1-8,17H,9H2,(H,16,18) |
| InChIKey | ITCAYBFKQPJZJN-UHFFFAOYSA-N |
| XLogP | 2.55 |
| TPSA | 58.56 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 261.25 |
| LogP ≤ 5 | 2.55 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroquinone', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide (CID 9323790) is 2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide is O=C(COc1ccc(F)cc1)Nc1ccc(O)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide?
The InChIKey is ITCAYBFKQPJZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-10-1-7-13(8-2-10)19-9-14(18)16-11-3-5-12(17)6-4-11/h1-8,17H,9H2,(H,16,18).
What are the key properties of 2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide?
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide has a molecular weight of 261.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 9323790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).