N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide

C23H21N3O2 — CID 69060718

IUPACN-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1n[nH]c2cc(-c3ccc(C)c(C)c3)ccc12
InChIInChI=1S/C23H21N3O2/c1-14-8-9-16(12-15(14)2)17-10-11-18-20(13-17)25-26-22(18)24-23(27)19-6-4-5-7-21(19)28-3/h4-13H,1-3H3,(H2,24,25,26,27)
InChIKeyOPOANRHCLAAXLC-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.11
Rot. Bonds4

About N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide

N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide (PubChem CID 69060718) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide
PubChem CID69060718
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1n[nH]c2cc(-c3ccc(C)c(C)c3)ccc12
InChIInChI=1S/C23H21N3O2/c1-14-8-9-16(12-15(14)2)17-10-11-18-20(13-17)25-26-22(18)24-23(27)19-6-4-5-7-21(19)28-3/h4-13H,1-3H3,(H2,24,25,26,27)
InChIKeyOPOANRHCLAAXLC-UHFFFAOYSA-N
XLogP5.11
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
CID 69063393
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264
2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide
CID 162674383
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69060568
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide
CID 53198463
2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide
CID 87678347
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide
CID 69059504
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69060405
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methoxybenzamide
CID 22479909
1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
CID 69061205
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]furan-2-carboxamide
CID 69064766

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide (CID 69060718) is N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1n[nH]c2cc(-c3ccc(C)c(C)c3)ccc12.
What is the InChIKey of N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide?
The InChIKey is OPOANRHCLAAXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-14-8-9-16(12-15(14)2)17-10-11-18-20(13-17)25-26-22(18)24-23(27)19-6-4-5-7-21(19)28-3/h4-13H,1-3H3,(H2,24,25,26,27).
What are the key properties of N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide?
N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide has a molecular weight of 371.44 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 69060718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).