4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide

C18H12ClN3O2 — CID 69045328

IUPAC4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c2ccc(-c3ccco3)cc12)c1ccc(Cl)cc1
InChIInChI=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)
InChIKeyFZQXIYPJCKGXBP-UHFFFAOYSA-N
MW337.77 g/mol
LogP4.73
Rot. Bonds3

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 Name4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide
PubChem CID69045328
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name4-chloro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c2ccc(-c3ccco3)cc12)c1ccc(Cl)cc1
InChIInChI=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)
InChIKeyFZQXIYPJCKGXBP-UHFFFAOYSA-N
XLogP4.73
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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).