About 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide
2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide (PubChem CID 21368419) has the molecular formula C21H18FNO3
and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide.
Molecular Properties
| Compound Name | 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide |
| PubChem CID | 21368419 |
| Molecular Formula | C21H18FNO3 |
| Molecular Weight | 351.38 g/mol |
| Exact Mass | 351.13 |
| IUPAC Name | 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide |
| SMILES | CC(Oc1ccc(F)cc1)C(=O)Nc1ccccc1Oc1ccccc1 |
| InChI | InChI=1S/C21H18FNO3/c1-15(25-18-13-11-16(22)12-14-18)21(24)23-19-9-5-6-10-20(19)26-17-7-3-2-4-8-17/h2-15H,1H3,(H,23,24) |
| InChIKey | KPMRPESMQXRVRP-UHFFFAOYSA-N |
| XLogP | 5.02 |
| TPSA | 47.56 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 26 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 351.38 |
| LogP ≤ 5 | 5.02 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide (CID 21368419) is 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide is CC(Oc1ccc(F)cc1)C(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide?
The InChIKey is KPMRPESMQXRVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c1-15(25-18-13-11-16(22)12-14-18)21(24)23-19-9-5-6-10-20(19)26-17-7-3-2-4-8-17/h2-15H,1H3,(H,23,24).
What are the key properties of 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide?
2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide has a molecular weight of 351.38 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide is sourced from PubChem (CID 21368419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).