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

C21H15F2N3O — CID 69063668

IUPAC2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide
SMILESCc1cccc(-c2ccc3c(NC(=O)c4c(F)cccc4F)n[nH]c3c2)c1
InChIInChI=1S/C21H15F2N3O/c1-12-4-2-5-13(10-12)14-8-9-15-18(11-14)25-26-20(15)24-21(27)19-16(22)6-3-7-17(19)23/h2-11H,1H3,(H2,24,25,26,27)
InChIKeyFHKFUGFIYFILED-UHFFFAOYSA-N
MW363.37 g/mol
LogP5.07
Rot. Bonds3

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

2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide (PubChem CID 69063668) has the molecular formula C21H15F2N3O and a molecular weight of 363.37 g/mol. Its IUPAC name is 2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide
PubChem CID69063668
Molecular FormulaC21H15F2N3O
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide
SMILESCc1cccc(-c2ccc3c(NC(=O)c4c(F)cccc4F)n[nH]c3c2)c1
InChIInChI=1S/C21H15F2N3O/c1-12-4-2-5-13(10-12)14-8-9-15-18(11-14)25-26-20(15)24-21(27)19-16(22)6-3-7-17(19)23/h2-11H,1H3,(H2,24,25,26,27)
InChIKeyFHKFUGFIYFILED-UHFFFAOYSA-N
XLogP5.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.37
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide
CID 69061980
N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065843
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69067364
2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide
CID 87678347
2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide
CID 69059504
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264
N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
CID 155945536
2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69069464
(2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 69066647
2-cyclopentyl-N-[6-(3-fluorophenyl)-1H-indazol-3-yl]acetamide
CID 69060880
2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide
CID 69062836

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide (CID 69063668) is 2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide is Cc1cccc(-c2ccc3c(NC(=O)c4c(F)cccc4F)n[nH]c3c2)c1.
What is the InChIKey of 2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide?
The InChIKey is FHKFUGFIYFILED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O/c1-12-4-2-5-13(10-12)14-8-9-15-18(11-14)25-26-20(15)24-21(27)19-16(22)6-3-7-17(19)23/h2-11H,1H3,(H2,24,25,26,27).
What are the key properties of 2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide?
2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide has a molecular weight of 363.37 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 69063668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).