About N-(4-fluoro-2-methylphenyl)formamide
N-(4-fluoro-2-methylphenyl)formamide (PubChem CID 64992173) has the molecular formula C8H8FNO
and a molecular weight of 153.16 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)formamide.
Molecular Properties
| Compound Name | N-(4-fluoro-2-methylphenyl)formamide |
| PubChem CID | 64992173 |
| Molecular Formula | C8H8FNO |
| Molecular Weight | 153.16 g/mol |
| Exact Mass | 153.06 |
| IUPAC Name | N-(4-fluoro-2-methylphenyl)formamide |
| SMILES | Cc1cc(F)ccc1NC=O |
| InChI | InChI=1S/C8H8FNO/c1-6-4-7(9)2-3-8(6)10-5-11/h2-5H,1H3,(H,10,11) |
| InChIKey | OECWLARPMKHSAK-UHFFFAOYSA-N |
| XLogP | 1.70 |
| TPSA | 29.10 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 153.16 |
| LogP ≤ 5 | 1.70 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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-(4-fluoro-2-methylphenyl)formamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)formamide (CID 64992173) is N-(4-fluoro-2-methylphenyl)formamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)formamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)formamide is Cc1cc(F)ccc1NC=O.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)formamide?
The InChIKey is OECWLARPMKHSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c1-6-4-7(9)2-3-8(6)10-5-11/h2-5H,1H3,(H,10,11).
What are the key properties of N-(4-fluoro-2-methylphenyl)formamide?
N-(4-fluoro-2-methylphenyl)formamide has a molecular weight of 153.16 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)formamide is sourced from PubChem (CID 64992173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).