4-[[[2-[(4-chlorophenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid

C23H18ClN3O3 — CID 58306787

IUPAC4-[[[2-[(4-chlorophenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClN3O3/c24-18-11-7-16(8-12-18)14-27-21(19-3-1-2-4-20(19)26-27)22(28)25-13-15-5-9-17(10-6-15)23(29)30/h1-12H,13-14H2,(H,25,28)(H,29,30)
InChIKeyDOVMAHAEXKUEPO-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.37
Rot. Bonds6

About 4-[[[2-[(4-chlorophenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid

4-[[[2-[(4-chlorophenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid (PubChem CID 58306787) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is 4-[[[2-[(4-chlorophenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-[(4-chlorophenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid
PubChem CID58306787
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Name4-[[[2-[(4-chlorophenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClN3O3/c24-18-11-7-16(8-12-18)14-27-21(19-3-1-2-4-20(19)26-27)22(28)25-13-15-5-9-17(10-6-15)23(29)30/h1-12H,13-14H2,(H,25,28)(H,29,30)
InChIKeyDOVMAHAEXKUEPO-UHFFFAOYSA-N
XLogP4.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-[(4-chlorophenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

Lonidamine
CID 39562
Tolnidamine
CID 68679
1-((4-Chlorophenyl)methyl)-1H-indazole-3-carboxylic acid
CID 100493
4-[2-[4-[[(1-Propan-2-ylindazole-3-carbonyl)amino]methyl]piperidin-1-yl]ethyl]benzoic acid
CID 68490431
4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid
CID 138756829
4-[1-(2,6-Dichlorobenzoyl)indazol-3-yl]benzoic acid
CID 60162553
4-[(Z)-2-[6-chloro-1-[(4-fluorophenyl)methyl]indazol-3-yl]-1-cyanoethenyl]benzoic acid
CID 117972738
3-Carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid
CID 130299522
3-Carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-6-carboxylic acid
CID 130299602
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide
CID 130299610
Methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-6-carboxylate
CID 130299662
2-(4-Chloro-phenyl)-3-cyclohexyl-1-[(isopropyl-methyl-carbamoyl)-methyl]-1H-indole-6-carboxylic acid
CID 6480893

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(4-chlorophenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-[(4-chlorophenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid (CID 58306787) is 4-[[[2-[(4-chlorophenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-[(4-chlorophenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-[(4-chlorophenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[[2-[(4-chlorophenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid?
The InChIKey is DOVMAHAEXKUEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c24-18-11-7-16(8-12-18)14-27-21(19-3-1-2-4-20(19)26-27)22(28)25-13-15-5-9-17(10-6-15)23(29)30/h1-12H,13-14H2,(H,25,28)(H,29,30).
What are the key properties of 4-[[[2-[(4-chlorophenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid?
4-[[[2-[(4-chlorophenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid has a molecular weight of 419.87 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(4-chlorophenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 58306787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).