2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide

C21H13F4N3O2 — CID 69069464

IUPAC2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide
SMILESCOc1ccc(F)cc1-c1ccc2c(NC(=O)c3c(F)ccc(F)c3F)n[nH]c2c1
InChIInChI=1S/C21H13F4N3O2/c1-30-17-7-3-11(22)9-13(17)10-2-4-12-16(8-10)27-28-20(12)26-21(29)18-14(23)5-6-15(24)19(18)25/h2-9H,1H3,(H2,26,27,28,29)
InChIKeyONXMRZQQLOXEFJ-UHFFFAOYSA-N
MW415.35 g/mol
LogP5.05
Rot. Bonds4

About 2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide

2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide (PubChem CID 69069464) has the molecular formula C21H13F4N3O2 and a molecular weight of 415.35 g/mol. Its IUPAC name is 2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide
PubChem CID69069464
Molecular FormulaC21H13F4N3O2
Molecular Weight415.35 g/mol
Exact Mass415.09
IUPAC Name2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide
SMILESCOc1ccc(F)cc1-c1ccc2c(NC(=O)c3c(F)ccc(F)c3F)n[nH]c2c1
InChIInChI=1S/C21H13F4N3O2/c1-30-17-7-3-11(22)9-13(17)10-2-4-12-16(8-10)27-28-20(12)26-21(29)18-14(23)5-6-15(24)19(18)25/h2-9H,1H3,(H2,26,27,28,29)
InChIKeyONXMRZQQLOXEFJ-UHFFFAOYSA-N
XLogP5.05
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.35
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]furan-2-carboxamide
CID 69064766
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69069713
N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69064975
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenylmethoxyacetamide
CID 69064500
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
CID 69070154
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69060405
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 69070303
3-cyclopentyl-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]propanamide
CID 69064491
N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide
CID 69065883
[2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69064232
2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide?
The IUPAC name of 2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide (CID 69069464) is 2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide is COc1ccc(F)cc1-c1ccc2c(NC(=O)c3c(F)ccc(F)c3F)n[nH]c2c1.
What is the InChIKey of 2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide?
The InChIKey is ONXMRZQQLOXEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N3O2/c1-30-17-7-3-11(22)9-13(17)10-2-4-12-16(8-10)27-28-20(12)26-21(29)18-14(23)5-6-15(24)19(18)25/h2-9H,1H3,(H2,26,27,28,29).
What are the key properties of 2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide?
2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide has a molecular weight of 415.35 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 69069464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).