About 2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide
2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 110410764) has the molecular formula C20H18N2O2
and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide.
Molecular Properties
| Compound Name | 2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide |
| PubChem CID | 110410764 |
| Molecular Formula | C20H18N2O2 |
| Molecular Weight | 318.38 g/mol |
| Exact Mass | 318.14 |
| IUPAC Name | 2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide |
| SMILES | COc1ccc(-c2ccccc2)cc1C(=O)NCc1ccncc1 |
| InChI | InChI=1S/C20H18N2O2/c1-24-19-8-7-17(16-5-3-2-4-6-16)13-18(19)20(23)22-14-15-9-11-21-12-10-15/h2-13H,14H2,1H3,(H,22,23) |
| InChIKey | YDXUWFRSBALKCR-UHFFFAOYSA-N |
| XLogP | 3.69 |
| TPSA | 51.22 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 318.38 |
| LogP ≤ 5 | 3.69 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide (CID 110410764) is 2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide is COc1ccc(-c2ccccc2)cc1C(=O)NCc1ccncc1.
What is the InChIKey of 2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is YDXUWFRSBALKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-19-8-7-17(16-5-3-2-4-6-16)13-18(19)20(23)22-14-15-9-11-21-12-10-15/h2-13H,14H2,1H3,(H,22,23).
What are the key properties of 2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide?
2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 318.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 110410764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).