About 2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide
2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide (PubChem CID 51193962) has the molecular formula C14H13ClN2O2
and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide.
Molecular Properties
| Compound Name | 2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide |
| PubChem CID | 51193962 |
| Molecular Formula | C14H13ClN2O2 |
| Molecular Weight | 276.72 g/mol |
| Exact Mass | 276.07 |
| IUPAC Name | 2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide |
| SMILES | CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccccn1 |
| InChI | InChI=1S/C14H13ClN2O2/c1-10(19-12-7-5-11(15)6-8-12)14(18)17-13-4-2-3-9-16-13/h2-10H,1H3,(H,16,17,18) |
| InChIKey | ONIXCOJVFQBMAD-UHFFFAOYSA-N |
| XLogP | 3.14 |
| TPSA | 51.22 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 276.72 |
| LogP ≤ 5 | 3.14 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide (CID 51193962) is 2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide is CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccccn1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide?
The InChIKey is ONIXCOJVFQBMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-10(19-12-7-5-11(15)6-8-12)14(18)17-13-4-2-3-9-16-13/h2-10H,1H3,(H,16,17,18).
What are the key properties of 2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide?
2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide has a molecular weight of 276.72 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 51193962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).