About N-(naphthalen-2-ylmethylidene)benzamide
N-(naphthalen-2-ylmethylidene)benzamide (PubChem CID 101463832) has the molecular formula C18H13NO
and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethylidene)benzamide.
Molecular Properties
| Compound Name | N-(naphthalen-2-ylmethylidene)benzamide |
| PubChem CID | 101463832 |
| Molecular Formula | C18H13NO |
| Molecular Weight | 259.31 g/mol |
| Exact Mass | 259.10 |
| IUPAC Name | N-(naphthalen-2-ylmethylidene)benzamide |
| SMILES | O=C(/N=C/c1ccc2ccccc2c1)c1ccccc1 |
| InChI | InChI=1S/C18H13NO/c20-18(16-7-2-1-3-8-16)19-13-14-10-11-15-6-4-5-9-17(15)12-14/h1-13H/b19-13+ |
| InChIKey | JEUYZSWLULFPJE-CPNJWEJPSA-N |
| XLogP | 4.10 |
| TPSA | 29.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 259.31 |
| LogP ≤ 5 | 4.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(naphthalen-2-ylmethylidene)benzamide?
The IUPAC name of N-(naphthalen-2-ylmethylidene)benzamide (CID 101463832) is N-(naphthalen-2-ylmethylidene)benzamide.
What is the SMILES notation for N-(naphthalen-2-ylmethylidene)benzamide?
The canonical SMILES for N-(naphthalen-2-ylmethylidene)benzamide is O=C(/N=C/c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of N-(naphthalen-2-ylmethylidene)benzamide?
The InChIKey is JEUYZSWLULFPJE-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H13NO/c20-18(16-7-2-1-3-8-16)19-13-14-10-11-15-6-4-5-9-17(15)12-14/h1-13H/b19-13+.
What are the key properties of N-(naphthalen-2-ylmethylidene)benzamide?
N-(naphthalen-2-ylmethylidene)benzamide has a molecular weight of 259.31 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethylidene)benzamide is sourced from PubChem (CID 101463832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).