About 2-(4-chlorophenyl)-N-pyridin-2-ylacetamide
2-(4-chlorophenyl)-N-pyridin-2-ylacetamide (PubChem CID 670085) has the molecular formula C13H11ClN2O
and a molecular weight of 246.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-pyridin-2-ylacetamide.
Molecular Properties
| Compound Name | 2-(4-chlorophenyl)-N-pyridin-2-ylacetamide |
| PubChem CID | 670085 |
| Molecular Formula | C13H11ClN2O |
| Molecular Weight | 246.70 g/mol |
| Exact Mass | 246.06 |
| IUPAC Name | 2-(4-chlorophenyl)-N-pyridin-2-ylacetamide |
| SMILES | O=C(Cc1ccc(Cl)cc1)Nc1ccccn1 |
| InChI | InChI=1S/C13H11ClN2O/c14-11-6-4-10(5-7-11)9-13(17)16-12-3-1-2-8-15-12/h1-8H,9H2,(H,15,16,17) |
| InChIKey | VGDGJJWTJDNGFZ-UHFFFAOYSA-N |
| XLogP | 2.92 |
| 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 | 246.70 |
| LogP ≤ 5 | 2.92 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-chlorophenyl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-pyridin-2-ylacetamide (CID 670085) is 2-(4-chlorophenyl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-pyridin-2-ylacetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccccn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-pyridin-2-ylacetamide?
The InChIKey is VGDGJJWTJDNGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-11-6-4-10(5-7-11)9-13(17)16-12-3-1-2-8-15-12/h1-8H,9H2,(H,15,16,17).
What are the key properties of 2-(4-chlorophenyl)-N-pyridin-2-ylacetamide?
2-(4-chlorophenyl)-N-pyridin-2-ylacetamide has a molecular weight of 246.70 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 670085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).