5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid

C18H15ClN2O4 — CID 15995628

IUPAC5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
SMILESCOc1ccccc1NC(=O)Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H15ClN2O4/c1-25-15-5-3-2-4-14(15)20-16(22)9-12-11-8-10(19)6-7-13(11)21-17(12)18(23)24/h2-8,21H,9H2,1H3,(H,20,22)(H,23,24)
InChIKeyJLDSBZQCYROEBU-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.71
Rot. Bonds5

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

5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid (PubChem CID 15995628) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is 5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
PubChem CID15995628
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
SMILESCOc1ccccc1NC(=O)Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H15ClN2O4/c1-25-15-5-3-2-4-14(15)20-16(22)9-12-11-8-10(19)6-7-13(11)21-17(12)18(23)24/h2-8,21H,9H2,1H3,(H,20,22)(H,23,24)
InChIKeyJLDSBZQCYROEBU-UHFFFAOYSA-N
XLogP3.71
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-[2-(4-chloro-3-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 25016841
5-chloro-3-[2-(2,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 22431016
5-chloro-3-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 22431017
3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxylic acid
CID 59409101
3-[2-(4-chloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 59409122
3-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 5185005
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113212039
2-anthracen-9-yl-N-(2-methoxyphenyl)acetamide
CID 102391843
[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615244
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 113212020
5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid
CID 2233630
2-[[2-(5,6-dimethoxy-2-methyl-1H-indol-3-yl)acetyl]amino]benzoic acid
CID 10133618

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid?
The IUPAC name of 5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid (CID 15995628) is 5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid is COc1ccccc1NC(=O)Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid?
The InChIKey is JLDSBZQCYROEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-25-15-5-3-2-4-14(15)20-16(22)9-12-11-8-10(19)6-7-13(11)21-17(12)18(23)24/h2-8,21H,9H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid?
5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid has a molecular weight of 358.78 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 15995628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).