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

C18H12FN3O2 — CID 66933908

IUPAC3-fluoro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c2ccc(-c3ccco3)cc12)c1cccc(F)c1
InChIInChI=1S/C18H12FN3O2/c19-13-4-1-3-12(9-13)18(23)20-17-14-10-11(16-5-2-8-24-16)6-7-15(14)21-22-17/h1-10H,(H2,20,21,22,23)
InChIKeyMKKNZBDELMGLGP-UHFFFAOYSA-N
MW321.31 g/mol
LogP4.21
Rot. Bonds3

About 3-fluoro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide

3-fluoro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide (PubChem CID 66933908) has the molecular formula C18H12FN3O2 and a molecular weight of 321.31 g/mol. Its IUPAC name is 3-fluoro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide
PubChem CID66933908
Molecular FormulaC18H12FN3O2
Molecular Weight321.31 g/mol
Exact Mass321.09
IUPAC Name3-fluoro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c2ccc(-c3ccco3)cc12)c1cccc(F)c1
InChIInChI=1S/C18H12FN3O2/c19-13-4-1-3-12(9-13)18(23)20-17-14-10-11(16-5-2-8-24-16)6-7-15(14)21-22-17/h1-10H,(H2,20,21,22,23)
InChIKeyMKKNZBDELMGLGP-UHFFFAOYSA-N
XLogP4.21
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide (CID 66933908) is 3-fluoro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide is O=C(Nc1n[nH]c2ccc(-c3ccco3)cc12)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is MKKNZBDELMGLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2/c19-13-4-1-3-12(9-13)18(23)20-17-14-10-11(16-5-2-8-24-16)6-7-15(14)21-22-17/h1-10H,(H2,20,21,22,23).
What are the key properties of 3-fluoro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide?
3-fluoro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 321.31 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-(furan-2-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 66933908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).