2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide

C18H15ClN2O3 — CID 113208305

IUPAC2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C18H15ClN2O3/c1-2-24-13-6-4-12(5-7-13)21-18(23)17(22)15-10-20-16-8-3-11(19)9-14(15)16/h3-10,20H,2H2,1H3,(H,21,23)
InChIKeyBSYVKDLKQBQHSX-UHFFFAOYSA-N
MW342.78 g/mol
LogP4.04
Rot. Bonds5

About 2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide

2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide (PubChem CID 113208305) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
PubChem CID113208305
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C18H15ClN2O3/c1-2-24-13-6-4-12(5-7-13)21-18(23)17(22)15-10-20-16-8-3-11(19)9-14(15)16/h3-10,20H,2H2,1H3,(H,21,23)
InChIKeyBSYVKDLKQBQHSX-UHFFFAOYSA-N
XLogP4.04
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208671
6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide
CID 113206447
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 54771139
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide
CID 113208212
N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 45000868
propan-2-yl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate
CID 10333108
ethyl (2R)-2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]-3-phenylpropanoate
CID 14541510
2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide
CID 113208837
2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 113210095
phenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate
CID 10043843
N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide
CID 2775971

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide (CID 113208305) is 2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide is CCOc1ccc(NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide?
The InChIKey is BSYVKDLKQBQHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-2-24-13-6-4-12(5-7-13)21-18(23)17(22)15-10-20-16-8-3-11(19)9-14(15)16/h3-10,20H,2H2,1H3,(H,21,23).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide?
2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide has a molecular weight of 342.78 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 113208305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).