2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide

C21H13F4N3O — CID 87678347

IUPAC2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide
SMILESCc1ccc(-c2ccc3c(NC(=O)c4cc(F)c(F)c(F)c4F)n[nH]c3c2)cc1
InChIInChI=1S/C21H13F4N3O/c1-10-2-4-11(5-3-10)12-6-7-13-16(8-12)27-28-20(13)26-21(29)14-9-15(22)18(24)19(25)17(14)23/h2-9H,1H3,(H2,26,27,28,29)
InChIKeyOHOSZCHTNXDVEP-UHFFFAOYSA-N
MW399.35 g/mol
LogP5.35
Rot. Bonds3

About 2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide

2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide (PubChem CID 87678347) has the molecular formula C21H13F4N3O and a molecular weight of 399.35 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide
PubChem CID87678347
Molecular FormulaC21H13F4N3O
Molecular Weight399.35 g/mol
Exact Mass399.10
IUPAC Name2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide
SMILESCc1ccc(-c2ccc3c(NC(=O)c4cc(F)c(F)c(F)c4F)n[nH]c3c2)cc1
InChIInChI=1S/C21H13F4N3O/c1-10-2-4-11(5-3-10)12-6-7-13-16(8-12)27-28-20(13)26-21(29)14-9-15(22)18(24)19(25)17(14)23/h2-9H,1H3,(H2,26,27,28,29)
InChIKeyOHOSZCHTNXDVEP-UHFFFAOYSA-N
XLogP5.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.35
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetrafluoro-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
CID 87678026
2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide
CID 69063668
2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide
CID 69062836
N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide
CID 69060718
N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69064019
N-[6-(4-methylphenyl)-1H-indazol-3-yl]piperidine-1-carboxamide
CID 69064183
N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide
CID 69091931
2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
N-[6-(4-methylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide
CID 69063807
1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea
CID 69064539
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69067364
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide
CID 69061980

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide (CID 87678347) is 2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide is Cc1ccc(-c2ccc3c(NC(=O)c4cc(F)c(F)c(F)c4F)n[nH]c3c2)cc1.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide?
The InChIKey is OHOSZCHTNXDVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N3O/c1-10-2-4-11(5-3-10)12-6-7-13-16(8-12)27-28-20(13)26-21(29)14-9-15(22)18(24)19(25)17(14)23/h2-9H,1H3,(H2,26,27,28,29).
What are the key properties of 2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide?
2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide has a molecular weight of 399.35 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 87678347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).