About 3-formamido-N-(2-methylphenyl)benzamide
3-formamido-N-(2-methylphenyl)benzamide (PubChem CID 168653763) has the molecular formula C15H14N2O2
and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-formamido-N-(2-methylphenyl)benzamide.
Molecular Properties
| Compound Name | 3-formamido-N-(2-methylphenyl)benzamide |
| PubChem CID | 168653763 |
| Molecular Formula | C15H14N2O2 |
| Molecular Weight | 254.29 g/mol |
| Exact Mass | 254.11 |
| IUPAC Name | 3-formamido-N-(2-methylphenyl)benzamide |
| SMILES | Cc1ccccc1NC(=O)c1cccc(NC=O)c1 |
| InChI | InChI=1S/C15H14N2O2/c1-11-5-2-3-8-14(11)17-15(19)12-6-4-7-13(9-12)16-10-18/h2-10H,1H3,(H,16,18)(H,17,19) |
| InChIKey | HTCQKHLFBAABTO-UHFFFAOYSA-N |
| XLogP | 2.82 |
| TPSA | 58.20 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 254.29 |
| LogP ≤ 5 | 2.82 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of 3-formamido-N-(2-methylphenyl)benzamide?
The IUPAC name of 3-formamido-N-(2-methylphenyl)benzamide (CID 168653763) is 3-formamido-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3-formamido-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3-formamido-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1cccc(NC=O)c1.
What is the InChIKey of 3-formamido-N-(2-methylphenyl)benzamide?
The InChIKey is HTCQKHLFBAABTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-5-2-3-8-14(11)17-15(19)12-6-4-7-13(9-12)16-10-18/h2-10H,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-formamido-N-(2-methylphenyl)benzamide?
3-formamido-N-(2-methylphenyl)benzamide has a molecular weight of 254.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 168653763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).