About 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide
2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide (PubChem CID 115918565) has the molecular formula C14H10BrF2NO2
and a molecular weight of 342.14 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide.
Molecular Properties
| Compound Name | 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide |
| PubChem CID | 115918565 |
| Molecular Formula | C14H10BrF2NO2 |
| Molecular Weight | 342.14 g/mol |
| Exact Mass | 340.99 |
| IUPAC Name | 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide |
| SMILES | O=C(COc1cc(Br)ccc1F)Nc1ccc(F)cc1 |
| InChI | InChI=1S/C14H10BrF2NO2/c15-9-1-6-12(17)13(7-9)20-8-14(19)18-11-4-2-10(16)3-5-11/h1-7H,8H2,(H,18,19) |
| InChIKey | QDZGVCYXRIVFMG-UHFFFAOYSA-N |
| XLogP | 3.74 |
| TPSA | 38.33 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 342.14 |
| LogP ≤ 5 | 3.74 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide (CID 115918565) is 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide is O=C(COc1cc(Br)ccc1F)Nc1ccc(F)cc1.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide?
The InChIKey is QDZGVCYXRIVFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO2/c15-9-1-6-12(17)13(7-9)20-8-14(19)18-11-4-2-10(16)3-5-11/h1-7H,8H2,(H,18,19).
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide?
2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide has a molecular weight of 342.14 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 115918565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).