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

C13H13ClN2O3 — CID 113208212

IUPAC2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide
SMILESCOCCNC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H13ClN2O3/c1-19-5-4-15-13(18)12(17)10-7-16-11-3-2-8(14)6-9(10)11/h2-3,6-7,16H,4-5H2,1H3,(H,15,18)
InChIKeyUHEQROSGURGYCI-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.77
Rot. Bonds5

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

2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide (PubChem CID 113208212) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide
PubChem CID113208212
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide
SMILESCOCCNC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H13ClN2O3/c1-19-5-4-15-13(18)12(17)10-7-16-11-3-2-8(14)6-9(10)11/h2-3,6-7,16H,4-5H2,1H3,(H,15,18)
InChIKeyUHEQROSGURGYCI-UHFFFAOYSA-N
XLogP1.77
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-propyl-1H-indole-3-carboxamide
CID 113205770
2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 113208231
phenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate
CID 10043843
5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 69197000
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
propan-2-yl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate
CID 10333108
2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 113208230
2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 113208305
1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone
CID 63879051
2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208428
5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113205929

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide (CID 113208212) is 2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide is COCCNC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide?
The InChIKey is UHEQROSGURGYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-19-5-4-15-13(18)12(17)10-7-16-11-3-2-8(14)6-9(10)11/h2-3,6-7,16H,4-5H2,1H3,(H,15,18).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide?
2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide has a molecular weight of 280.71 g/mol, XLogP of 1.77, 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-(2-methoxyethyl)-2-oxoacetamide is sourced from PubChem (CID 113208212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).