2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide

C22H17Cl2N3O2 — CID 69061802

IUPAC2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide
SMILESCCOc1cccc(-c2ccc3c(NC(=O)c4ccc(Cl)cc4Cl)n[nH]c3c2)c1
InChIInChI=1S/C22H17Cl2N3O2/c1-2-29-16-5-3-4-13(10-16)14-6-8-18-20(11-14)26-27-21(18)25-22(28)17-9-7-15(23)12-19(17)24/h3-12H,2H2,1H3,(H2,25,26,27,28)
InChIKeySBELXJLOYYICRK-UHFFFAOYSA-N
MW426.30 g/mol
LogP6.19
Rot. Bonds5

About 2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide

2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide (PubChem CID 69061802) has the molecular formula C22H17Cl2N3O2 and a molecular weight of 426.30 g/mol. Its IUPAC name is 2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide
PubChem CID69061802
Molecular FormulaC22H17Cl2N3O2
Molecular Weight426.30 g/mol
Exact Mass425.07
IUPAC Name2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide
SMILESCCOc1cccc(-c2ccc3c(NC(=O)c4ccc(Cl)cc4Cl)n[nH]c3c2)c1
InChIInChI=1S/C22H17Cl2N3O2/c1-2-29-16-5-3-4-13(10-16)14-6-8-18-20(11-14)26-27-21(18)25-22(28)17-9-7-15(23)12-19(17)24/h3-12H,2H2,1H3,(H2,25,26,27,28)
InChIKeySBELXJLOYYICRK-UHFFFAOYSA-N
XLogP6.19
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.30
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
N-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine
CID 166629921
6-(3-ethoxyphenyl)-1H-indazol-3-amine
CID 11622972
[2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69060604
N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69064019
N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide
CID 22319587
2,4-dichloro-N'-(3-ethoxybenzoyl)benzohydrazide
CID 4957514
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264
2-(4-chlorophenoxy)-N-[6-(2-ethoxyphenyl)-1H-indazol-3-yl]acetamide
CID 69069808
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide
CID 162674383
2,5-dichloro-N-(1H-indazol-3-yl)benzamide
CID 60729962

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide (CID 69061802) is 2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide is CCOc1cccc(-c2ccc3c(NC(=O)c4ccc(Cl)cc4Cl)n[nH]c3c2)c1.
What is the InChIKey of 2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide?
The InChIKey is SBELXJLOYYICRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O2/c1-2-29-16-5-3-4-13(10-16)14-6-8-18-20(11-14)26-27-21(18)25-22(28)17-9-7-15(23)12-19(17)24/h3-12H,2H2,1H3,(H2,25,26,27,28).
What are the key properties of 2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide?
2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide has a molecular weight of 426.30 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 69061802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).