2-(5-chloro-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide

C18H15ClN2O3 — CID 10783548

IUPAC2-(5-chloro-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)
InChIKeyYEFFWDGMWBFKHL-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.33
Rot. Bonds5

About 2-(5-chloro-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide

2-(5-chloro-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide (PubChem CID 10783548) 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-methoxyphenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
PubChem CID10783548
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)
InChIKeyYEFFWDGMWBFKHL-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide (CID 10783548) is 2-(5-chloro-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide is COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The InChIKey is YEFFWDGMWBFKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
2-(5-chloro-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide has a molecular weight of 342.78 g/mol, XLogP of 3.33, 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-methoxyphenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 10783548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).