4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid

C21H12Cl2N2O3 — CID 118142071

IUPAC4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2nc(C(=O)c3c(Cl)cccc3Cl)c3ccccc32)cc1
InChIInChI=1S/C21H12Cl2N2O3/c22-15-5-3-6-16(23)18(15)20(26)19-14-4-1-2-7-17(14)25(24-19)13-10-8-12(9-11-13)21(27)28/h1-11H,(H,27,28)
InChIKeyGVWQZVAMODQAFX-UHFFFAOYSA-N
MW411.24 g/mol
LogP5.26
Rot. Bonds4

About 4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid

4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid (PubChem CID 118142071) has the molecular formula C21H12Cl2N2O3 and a molecular weight of 411.24 g/mol. Its IUPAC name is 4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid
PubChem CID118142071
Molecular FormulaC21H12Cl2N2O3
Molecular Weight411.24 g/mol
Exact Mass410.02
IUPAC Name4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2nc(C(=O)c3c(Cl)cccc3Cl)c3ccccc32)cc1
InChIInChI=1S/C21H12Cl2N2O3/c22-15-5-3-6-16(23)18(15)20(26)19-14-4-1-2-7-17(14)25(24-19)13-10-8-12(9-11-13)21(27)28/h1-11H,(H,27,28)
InChIKeyGVWQZVAMODQAFX-UHFFFAOYSA-N
XLogP5.26
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.24
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lonidamine
CID 39562
4-[1-(2,6-Dichlorobenzoyl)indazol-3-yl]benzoic acid
CID 60162553
5-(2-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
CID 3730168
4-[1-(2,6-Dichlorobenzoyl)-6-(dimethylcarbamoyl)indazol-3-yl]benzoic acid
CID 134140572
4-[1-[(2,6-Dichlorophenyl)methyl]indazol-3-yl]benzoic acid
CID 155532208
4-[3-(2,6-Dichlorobenzoyl)-2-methylindol-1-yl]benzoic acid
CID 155567951
5-(2'',4''-Dichloro-biphenyl-4-yl)-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 44311608
1-(3-Carboxyphenyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid
CID 44311649
4-[3-[(2,6-Dichlorophenyl)methyl]indazol-1-yl]benzoic acid
CID 134154628
1-[(2,6-Dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid
CID 68184004
1-[(2,6-Dichlorophenyl)methyl]-3-methylindazole-6-carboxylic acid
CID 68184504
4-[1-[(2,6-Dichlorophenyl)methyl]-4-fluoroindazol-3-yl]benzoic acid
CID 134822700

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid?
The IUPAC name of 4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid (CID 118142071) is 4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid?
The canonical SMILES for 4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid is O=C(O)c1ccc(-n2nc(C(=O)c3c(Cl)cccc3Cl)c3ccccc32)cc1.
What is the InChIKey of 4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid?
The InChIKey is GVWQZVAMODQAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2N2O3/c22-15-5-3-6-16(23)18(15)20(26)19-14-4-1-2-7-17(14)25(24-19)13-10-8-12(9-11-13)21(27)28/h1-11H,(H,27,28).
What are the key properties of 4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid?
4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid has a molecular weight of 411.24 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid is sourced from PubChem (CID 118142071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).