N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide

C22H17F2N3O3 — CID 69060405

IUPACN-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
SMILESCOc1ccc(-c2ccc3c(NC(=O)c4ccc(F)cc4F)n[nH]c3c2)c(OC)c1
InChIInChI=1S/C22H17F2N3O3/c1-29-14-5-8-15(20(11-14)30-2)12-3-6-17-19(9-12)26-27-21(17)25-22(28)16-7-4-13(23)10-18(16)24/h3-11H,1-2H3,(H2,25,26,27,28)
InChIKeyLONHFILKOQVYKC-UHFFFAOYSA-N
MW409.39 g/mol
LogP4.78
Rot. Bonds5

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

N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide (PubChem CID 69060405) has the molecular formula C22H17F2N3O3 and a molecular weight of 409.39 g/mol. Its IUPAC name is N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
PubChem CID69060405
Molecular FormulaC22H17F2N3O3
Molecular Weight409.39 g/mol
Exact Mass409.12
IUPAC NameN-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
SMILESCOc1ccc(-c2ccc3c(NC(=O)c4ccc(F)cc4F)n[nH]c3c2)c(OC)c1
InChIInChI=1S/C22H17F2N3O3/c1-29-14-5-8-15(20(11-14)30-2)12-3-6-17-19(9-12)26-27-21(17)25-22(28)16-7-4-13(23)10-18(16)24/h3-11H,1-2H3,(H2,25,26,27,28)
InChIKeyLONHFILKOQVYKC-UHFFFAOYSA-N
XLogP4.78
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264
N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69064975
2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide
CID 69062836
N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69064019
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065277
2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69069464
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69060568
2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
CID 69063393
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]furan-2-carboxamide
CID 69064766
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69069713
N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide
CID 69060718

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide (CID 69060405) is N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide is COc1ccc(-c2ccc3c(NC(=O)c4ccc(F)cc4F)n[nH]c3c2)c(OC)c1.
What is the InChIKey of N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide?
The InChIKey is LONHFILKOQVYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O3/c1-29-14-5-8-15(20(11-14)30-2)12-3-6-17-19(9-12)26-27-21(17)25-22(28)16-7-4-13(23)10-18(16)24/h3-11H,1-2H3,(H2,25,26,27,28).
What are the key properties of N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide?
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide has a molecular weight of 409.39 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 69060405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).