About 5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 9138991) has the molecular formula C15H9ClFNO2
and a molecular weight of 289.69 g/mol. Its IUPAC name is 5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide.
Molecular Properties
| Compound Name | 5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide |
| PubChem CID | 9138991 |
| Molecular Formula | C15H9ClFNO2 |
| Molecular Weight | 289.69 g/mol |
| Exact Mass | 289.03 |
| IUPAC Name | 5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide |
| SMILES | O=C(Nc1ccccc1F)c1cc2cc(Cl)ccc2o1 |
| InChI | InChI=1S/C15H9ClFNO2/c16-10-5-6-13-9(7-10)8-14(20-13)15(19)18-12-4-2-1-3-11(12)17/h1-8H,(H,18,19) |
| InChIKey | MMHBSHAZAURJMJ-UHFFFAOYSA-N |
| XLogP | 4.48 |
| TPSA | 42.24 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 289.69 |
| LogP ≤ 5 | 4.48 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide (CID 9138991) is 5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide is O=C(Nc1ccccc1F)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is MMHBSHAZAURJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO2/c16-10-5-6-13-9(7-10)8-14(20-13)15(19)18-12-4-2-1-3-11(12)17/h1-8H,(H,18,19).
What are the key properties of 5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 289.69 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9138991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).