About 2-fluoro-N-[2-(3-formylphenyl)phenyl]acetamide
2-fluoro-N-[2-(3-formylphenyl)phenyl]acetamide (PubChem CID 142724075) has the molecular formula C15H12FNO2
and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-fluoro-N-[2-(3-formylphenyl)phenyl]acetamide.
Molecular Properties
| Compound Name | 2-fluoro-N-[2-(3-formylphenyl)phenyl]acetamide |
| PubChem CID | 142724075 |
| Molecular Formula | C15H12FNO2 |
| Molecular Weight | 257.26 g/mol |
| Exact Mass | 257.09 |
| IUPAC Name | 2-fluoro-N-[2-(3-formylphenyl)phenyl]acetamide |
| SMILES | O=Cc1cccc(-c2ccccc2NC(=O)CF)c1 |
| InChI | InChI=1S/C15H12FNO2/c16-9-15(19)17-14-7-2-1-6-13(14)12-5-3-4-11(8-12)10-18/h1-8,10H,9H2,(H,17,19) |
| InChIKey | RFYAEMICRIWCFQ-UHFFFAOYSA-N |
| XLogP | 3.07 |
| TPSA | 46.17 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 257.26 |
| LogP ≤ 5 | 3.07 |
| 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 2-fluoro-N-[2-(3-formylphenyl)phenyl]acetamide?
The IUPAC name of 2-fluoro-N-[2-(3-formylphenyl)phenyl]acetamide (CID 142724075) is 2-fluoro-N-[2-(3-formylphenyl)phenyl]acetamide.
What is the SMILES notation for 2-fluoro-N-[2-(3-formylphenyl)phenyl]acetamide?
The canonical SMILES for 2-fluoro-N-[2-(3-formylphenyl)phenyl]acetamide is O=Cc1cccc(-c2ccccc2NC(=O)CF)c1.
What is the InChIKey of 2-fluoro-N-[2-(3-formylphenyl)phenyl]acetamide?
The InChIKey is RFYAEMICRIWCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c16-9-15(19)17-14-7-2-1-6-13(14)12-5-3-4-11(8-12)10-18/h1-8,10H,9H2,(H,17,19).
What are the key properties of 2-fluoro-N-[2-(3-formylphenyl)phenyl]acetamide?
2-fluoro-N-[2-(3-formylphenyl)phenyl]acetamide has a molecular weight of 257.26 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(3-formylphenyl)phenyl]acetamide is sourced from PubChem (CID 142724075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).