5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid

C19H16Cl2N2O3 — CID 22431028

IUPAC5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
SMILESCc1ccc(Cl)cc1N(C)C(=O)Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H16Cl2N2O3/c1-10-3-4-12(21)8-16(10)23(2)17(24)9-14-13-7-11(20)5-6-15(13)22-18(14)19(25)26/h3-8,22H,9H2,1-2H3,(H,25,26)
InChIKeyUGLXALBTPIKGFM-UHFFFAOYSA-N
MW391.25 g/mol
LogP4.69
Rot. Bonds4

About 5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid

5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid (PubChem CID 22431028) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is 5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
PubChem CID22431028
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
SMILESCc1ccc(Cl)cc1N(C)C(=O)Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H16Cl2N2O3/c1-10-3-4-12(21)8-16(10)23(2)17(24)9-14-13-7-11(20)5-6-15(13)22-18(14)19(25)26/h3-8,22H,9H2,1-2H3,(H,25,26)
InChIKeyUGLXALBTPIKGFM-UHFFFAOYSA-N
XLogP4.69
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-[2-(N-ethyl-3,4-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 6621510
3-[2-(N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 4688441
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide
CID 113212000
2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
CID 82082325
5-chloro-3-[2-oxo-2-(N-prop-2-enylanilino)ethyl]-1H-indole-2-carboxylic acid
CID 15997215
5-chloro-3-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 166164206
5-chloro-3-[(2,2-dimethylpropanoylamino)methyl]-1H-indole-2-carboxylic acid
CID 94949083
5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 15995628
5-chloro-3-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 166164214
2-[5-chloro-2-(3,4-dimethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
CID 18542235
5-chloro-3-[2-(2,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 22431016
5-chloro-3-[2-(4-chloro-3-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 25016841

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid?
The IUPAC name of 5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid (CID 22431028) is 5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid is Cc1ccc(Cl)cc1N(C)C(=O)Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid?
The InChIKey is UGLXALBTPIKGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-10-3-4-12(21)8-16(10)23(2)17(24)9-14-13-7-11(20)5-6-15(13)22-18(14)19(25)26/h3-8,22H,9H2,1-2H3,(H,25,26).
What are the key properties of 5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid?
5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid has a molecular weight of 391.25 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 22431028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).