About N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide (PubChem CID 110697317) has the molecular formula C13H11FN2O
and a molecular weight of 230.24 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-pyridin-4-ylacetamide.
Molecular Properties
| Compound Name | N-(4-fluorophenyl)-2-pyridin-4-ylacetamide |
| PubChem CID | 110697317 |
| Molecular Formula | C13H11FN2O |
| Molecular Weight | 230.24 g/mol |
| Exact Mass | 230.09 |
| IUPAC Name | N-(4-fluorophenyl)-2-pyridin-4-ylacetamide |
| SMILES | O=C(Cc1ccncc1)Nc1ccc(F)cc1 |
| InChI | InChI=1S/C13H11FN2O/c14-11-1-3-12(4-2-11)16-13(17)9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17) |
| InChIKey | WHWLNCPTHXJEJP-UHFFFAOYSA-N |
| XLogP | 2.40 |
| TPSA | 41.99 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 230.24 |
| LogP ≤ 5 | 2.40 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of N-(4-fluorophenyl)-2-pyridin-4-ylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-pyridin-4-ylacetamide (CID 110697317) is N-(4-fluorophenyl)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-pyridin-4-ylacetamide is O=C(Cc1ccncc1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-pyridin-4-ylacetamide?
The InChIKey is WHWLNCPTHXJEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c14-11-1-3-12(4-2-11)16-13(17)9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17).
What are the key properties of N-(4-fluorophenyl)-2-pyridin-4-ylacetamide?
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide has a molecular weight of 230.24 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 110697317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).