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

C22H19N3O — CID 69059504

IUPACN-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide
SMILESCc1cccc(C)c1-c1ccc2c(NC(=O)c3ccccc3)n[nH]c2c1
InChIInChI=1S/C22H19N3O/c1-14-7-6-8-15(2)20(14)17-11-12-18-19(13-17)24-25-21(18)23-22(26)16-9-4-3-5-10-16/h3-13H,1-2H3,(H2,23,24,25,26)
InChIKeyGZGBEPQSCCETJG-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.10
Rot. Bonds3

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

N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide (PubChem CID 69059504) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide
PubChem CID69059504
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide
SMILESCc1cccc(C)c1-c1ccc2c(NC(=O)c3ccccc3)n[nH]c2c1
InChIInChI=1S/C22H19N3O/c1-14-7-6-8-15(2)20(14)17-11-12-18-19(13-17)24-25-21(18)23-22(26)16-9-4-3-5-10-16/h3-13H,1-2H3,(H2,23,24,25,26)
InChIKeyGZGBEPQSCCETJG-UHFFFAOYSA-N
XLogP5.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-[6-(2-methylphenyl)-1H-indazol-3-yl]benzamide
CID 69060060
[2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 69059417
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69064177
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69067364
6-(2,6-dimethylphenyl)-1H-indazol-3-amine
CID 69066632
4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide
CID 141458906
N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide
CID 69060718
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide
CID 69061980
N-(5-hydroxy-1H-indazol-3-yl)benzamide
CID 45086916
3-benzamido-1H-indazole-5-carboxylic acid
CID 129093990
2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide
CID 69063668
N-(6-phenyl-1H-indazol-3-yl)furan-2-carboxamide
CID 69065534

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide (CID 69059504) is N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide is Cc1cccc(C)c1-c1ccc2c(NC(=O)c3ccccc3)n[nH]c2c1.
What is the InChIKey of N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide?
The InChIKey is GZGBEPQSCCETJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-14-7-6-8-15(2)20(14)17-11-12-18-19(13-17)24-25-21(18)23-22(26)16-9-4-3-5-10-16/h3-13H,1-2H3,(H2,23,24,25,26).
What are the key properties of N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide?
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide has a molecular weight of 341.41 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 69059504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).