About 3-phenyl-N-(pyridin-2-ylmethyl)benzamide
3-phenyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 110724423) has the molecular formula C19H16N2O
and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-phenyl-N-(pyridin-2-ylmethyl)benzamide.
Molecular Properties
| Compound Name | 3-phenyl-N-(pyridin-2-ylmethyl)benzamide |
| PubChem CID | 110724423 |
| Molecular Formula | C19H16N2O |
| Molecular Weight | 288.35 g/mol |
| Exact Mass | 288.13 |
| IUPAC Name | 3-phenyl-N-(pyridin-2-ylmethyl)benzamide |
| SMILES | O=C(NCc1ccccn1)c1cccc(-c2ccccc2)c1 |
| InChI | InChI=1S/C19H16N2O/c22-19(21-14-18-11-4-5-12-20-18)17-10-6-9-16(13-17)15-7-2-1-3-8-15/h1-13H,14H2,(H,21,22) |
| InChIKey | NJMZNLUCOBDRMK-UHFFFAOYSA-N |
| XLogP | 3.68 |
| TPSA | 41.99 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 288.35 |
| LogP ≤ 5 | 3.68 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 3-phenyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-phenyl-N-(pyridin-2-ylmethyl)benzamide (CID 110724423) is 3-phenyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-phenyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-phenyl-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-phenyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is NJMZNLUCOBDRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c22-19(21-14-18-11-4-5-12-20-18)17-10-6-9-16(13-17)15-7-2-1-3-8-15/h1-13H,14H2,(H,21,22).
What are the key properties of 3-phenyl-N-(pyridin-2-ylmethyl)benzamide?
3-phenyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 288.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 110724423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).