3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoic acid

C21H15ClN4O3 — CID 11281224

IUPAC3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)Nc2n[nH]c3cc(Nc4ccccc4Cl)ccc23)c1
InChIInChI=1S/C21H15ClN4O3/c22-16-6-1-2-7-17(16)23-14-8-9-15-18(11-14)25-26-19(15)24-20(27)12-4-3-5-13(10-12)21(28)29/h1-11,23H,(H,28,29)(H2,24,25,26,27)
InChIKeyREKSDNUUJBJLFS-UHFFFAOYSA-N
MW406.83 g/mol
LogP4.91
Rot. Bonds5

About 3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoic acid

3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoic acid (PubChem CID 11281224) has the molecular formula C21H15ClN4O3 and a molecular weight of 406.83 g/mol. Its IUPAC name is 3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoic acid
PubChem CID11281224
Molecular FormulaC21H15ClN4O3
Molecular Weight406.83 g/mol
Exact Mass406.08
IUPAC Name3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)Nc2n[nH]c3cc(Nc4ccccc4Cl)ccc23)c1
InChIInChI=1S/C21H15ClN4O3/c22-16-6-1-2-7-17(16)23-14-8-9-15-18(11-14)25-26-19(15)24-20(27)12-4-3-5-13(10-12)21(28)29/h1-11,23H,(H,28,29)(H2,24,25,26,27)
InChIKeyREKSDNUUJBJLFS-UHFFFAOYSA-N
XLogP4.91
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 54.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoic acid with MolForge

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Related Compounds

3-{6-[(2-Chlorophenyl)amino]-1H-indazol-3-YL}-5-{[4-(dimethylamino)butanoyl]amino}benzoic acid
CID 9549178
4-[6-(2-Chloro-phenylamino)-1H-indazol-3-yl]-benzoic acid
CID 10172440
3-[6-(2-Chloro-phenylamino)-1H-indazol-3-yl]-benzoic acid
CID 10215642
4-[3-(2,6-Dichloroanilino)-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid
CID 134142378
4-[3-(2,6-Dichloroanilino)indazol-1-yl]benzoic acid
CID 134146033
[4-[3-carboxy-5-[6-(2-chloroanilino)-1H-indazol-3-yl]anilino]-4-oxobutyl]-dimethylazanium
CID 78224697
4-[[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamoyl]benzoic acid
CID 68671817
3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid
CID 122584439
3-(2,2,2-trifluoroacetamido)-1H-indazole-5-carboxylic acid
CID 167740322
methyl 3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoate
CID 11212327
3-Chloro-4-[3-cyclohexyl-3-(2-phenyl-2H-indazol-3-yl)-ureido]-benzoic acid
CID 45110884
methyl 3-(3-chloroanilino)-1H-indazole-5-carboxylate
CID 69188732

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoic acid?
The IUPAC name of 3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoic acid (CID 11281224) is 3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoic acid?
The canonical SMILES for 3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoic acid is O=C(O)c1cccc(C(=O)Nc2n[nH]c3cc(Nc4ccccc4Cl)ccc23)c1.
What is the InChIKey of 3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoic acid?
The InChIKey is REKSDNUUJBJLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O3/c22-16-6-1-2-7-17(16)23-14-8-9-15-18(11-14)25-26-19(15)24-20(27)12-4-3-5-13(10-12)21(28)29/h1-11,23H,(H,28,29)(H2,24,25,26,27).
What are the key properties of 3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoic acid?
3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoic acid has a molecular weight of 406.83 g/mol, XLogP of 4.91, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(2-chloroanilino)-1H-indazol-3-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 11281224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).