About 4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide
4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide (PubChem CID 69045328) has the molecular formula C18H12ClN3O2
and a molecular weight of 337.77 g/mol. Its IUPAC name is 4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide.
Molecular Properties
| Compound Name | 4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide |
| PubChem CID | 69045328 |
| Molecular Formula | C18H12ClN3O2 |
| Molecular Weight | 337.77 g/mol |
| Exact Mass | 337.06 |
| IUPAC Name | 4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide |
| SMILES | O=C(Nc1n[nH]c2ccc(-c3ccco3)cc12)c1ccc(Cl)cc1 |
| InChI | InChI=1S/C18H12ClN3O2/c19-13-6-3-11(4-7-13)18(23)20-17-14-10-12(16-2-1-9-24-16)5-8-15(14)21-22-17/h1-10H,(H2,20,21,22,23) |
| InChIKey | FZQXIYPJCKGXBP-UHFFFAOYSA-N |
| XLogP | 4.73 |
| TPSA | 70.92 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 337.77 |
| LogP ≤ 5 | 4.73 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide (CID 69045328) is 4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide is O=C(Nc1n[nH]c2ccc(-c3ccco3)cc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is FZQXIYPJCKGXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c19-13-6-3-11(4-7-13)18(23)20-17-14-10-12(16-2-1-9-24-16)5-8-15(14)21-22-17/h1-10H,(H2,20,21,22,23).
What are the key properties of 4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide?
4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 337.77 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 69045328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).