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

C21H15Cl2N3O — CID 69060060

IUPAC3,5-dichloro-N-[6-(2-methylphenyl)-1H-indazol-3-yl]benzamide
SMILESCc1ccccc1-c1ccc2c(NC(=O)c3cc(Cl)cc(Cl)c3)n[nH]c2c1
InChIInChI=1S/C21H15Cl2N3O/c1-12-4-2-3-5-17(12)13-6-7-18-19(10-13)25-26-20(18)24-21(27)14-8-15(22)11-16(23)9-14/h2-11H,1H3,(H2,24,25,26,27)
InChIKeyHRXXARXHHISDBJ-UHFFFAOYSA-N
MW396.28 g/mol
LogP6.10
Rot. Bonds3

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

3,5-dichloro-N-[6-(2-methylphenyl)-1H-indazol-3-yl]benzamide (PubChem CID 69060060) has the molecular formula C21H15Cl2N3O and a molecular weight of 396.28 g/mol. Its IUPAC name is 3,5-dichloro-N-[6-(2-methylphenyl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[6-(2-methylphenyl)-1H-indazol-3-yl]benzamide
PubChem CID69060060
Molecular FormulaC21H15Cl2N3O
Molecular Weight396.28 g/mol
Exact Mass395.06
IUPAC Name3,5-dichloro-N-[6-(2-methylphenyl)-1H-indazol-3-yl]benzamide
SMILESCc1ccccc1-c1ccc2c(NC(=O)c3cc(Cl)cc(Cl)c3)n[nH]c2c1
InChIInChI=1S/C21H15Cl2N3O/c1-12-4-2-3-5-17(12)13-6-7-18-19(10-13)25-26-20(18)24-21(27)14-8-15(22)11-16(23)9-14/h2-11H,1H3,(H2,24,25,26,27)
InChIKeyHRXXARXHHISDBJ-UHFFFAOYSA-N
XLogP6.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide
CID 69059504
[2-[[6-(2-methylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 69059540
4-chloro-N-(1H-indazol-3-yl)benzamide
CID 12913046
2,3,4,5-tetrafluoro-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
CID 87678026
N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide
CID 69060718
2-(4-chlorophenoxy)-N-[6-(2-ethoxyphenyl)-1H-indazol-3-yl]acetamide
CID 69069808
2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
CID 69063393
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69064177
2,5-dichloro-N-(1H-indazol-3-yl)benzamide
CID 60729962
N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide
CID 22319587
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69067364
[2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 69059417

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[6-(2-methylphenyl)-1H-indazol-3-yl]benzamide?
The IUPAC name of 3,5-dichloro-N-[6-(2-methylphenyl)-1H-indazol-3-yl]benzamide (CID 69060060) is 3,5-dichloro-N-[6-(2-methylphenyl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[6-(2-methylphenyl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[6-(2-methylphenyl)-1H-indazol-3-yl]benzamide is Cc1ccccc1-c1ccc2c(NC(=O)c3cc(Cl)cc(Cl)c3)n[nH]c2c1.
What is the InChIKey of 3,5-dichloro-N-[6-(2-methylphenyl)-1H-indazol-3-yl]benzamide?
The InChIKey is HRXXARXHHISDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O/c1-12-4-2-3-5-17(12)13-6-7-18-19(10-13)25-26-20(18)24-21(27)14-8-15(22)11-16(23)9-14/h2-11H,1H3,(H2,24,25,26,27).
What are the key properties of 3,5-dichloro-N-[6-(2-methylphenyl)-1H-indazol-3-yl]benzamide?
3,5-dichloro-N-[6-(2-methylphenyl)-1H-indazol-3-yl]benzamide has a molecular weight of 396.28 g/mol, XLogP of 6.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[6-(2-methylphenyl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 69060060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).