About N-(5-methyl-2-phenoxyphenyl)formamide
N-(5-methyl-2-phenoxyphenyl)formamide (PubChem CID 2336214) has the molecular formula C14H13NO2
and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(5-methyl-2-phenoxyphenyl)formamide.
Molecular Properties
| Compound Name | N-(5-methyl-2-phenoxyphenyl)formamide |
| PubChem CID | 2336214 |
| Molecular Formula | C14H13NO2 |
| Molecular Weight | 227.26 g/mol |
| Exact Mass | 227.09 |
| IUPAC Name | N-(5-methyl-2-phenoxyphenyl)formamide |
| SMILES | Cc1ccc(Oc2ccccc2)c(NC=O)c1 |
| InChI | InChI=1S/C14H13NO2/c1-11-7-8-14(13(9-11)15-10-16)17-12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16) |
| InChIKey | MXFQXNGGKQIADV-UHFFFAOYSA-N |
| XLogP | 3.36 |
| TPSA | 38.33 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 227.26 |
| LogP ≤ 5 | 3.36 |
| H-Bond Donors ≤ 5 | 1 |
| 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 N-(5-methyl-2-phenoxyphenyl)formamide?
The IUPAC name of N-(5-methyl-2-phenoxyphenyl)formamide (CID 2336214) is N-(5-methyl-2-phenoxyphenyl)formamide.
What is the SMILES notation for N-(5-methyl-2-phenoxyphenyl)formamide?
The canonical SMILES for N-(5-methyl-2-phenoxyphenyl)formamide is Cc1ccc(Oc2ccccc2)c(NC=O)c1.
What is the InChIKey of N-(5-methyl-2-phenoxyphenyl)formamide?
The InChIKey is MXFQXNGGKQIADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-11-7-8-14(13(9-11)15-10-16)17-12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16).
What are the key properties of N-(5-methyl-2-phenoxyphenyl)formamide?
N-(5-methyl-2-phenoxyphenyl)formamide has a molecular weight of 227.26 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-phenoxyphenyl)formamide is sourced from PubChem (CID 2336214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).