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

C19H17ClN2O3 — CID 10926395

IUPAC2-(5-chloro-1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]-2-oxoacetamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C19H17ClN2O3/c1-11(12-3-6-14(25-2)7-4-12)22-19(24)18(23)16-10-21-17-8-5-13(20)9-15(16)17/h3-11,21H,1-2H3,(H,22,24)
InChIKeyGUESXEAKIHDRJT-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.89
Rot. Bonds5

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

2-(5-chloro-1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]-2-oxoacetamide (PubChem CID 10926395) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]-2-oxoacetamide
PubChem CID10926395
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]-2-oxoacetamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C19H17ClN2O3/c1-11(12-3-6-14(25-2)7-4-12)22-19(24)18(23)16-10-21-17-8-5-13(20)9-15(16)17/h3-11,21H,1-2H3,(H,22,24)
InChIKeyGUESXEAKIHDRJT-UHFFFAOYSA-N
XLogP3.89
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.89
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-[1-(4-methoxyphenyl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]-2-oxoacetamide (CID 10926395) is 2-(5-chloro-1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]-2-oxoacetamide is COc1ccc(C(C)NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]-2-oxoacetamide?
The InChIKey is GUESXEAKIHDRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-11(12-3-6-14(25-2)7-4-12)22-19(24)18(23)16-10-21-17-8-5-13(20)9-15(16)17/h3-11,21H,1-2H3,(H,22,24).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]-2-oxoacetamide?
2-(5-chloro-1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]-2-oxoacetamide has a molecular weight of 356.81 g/mol, XLogP of 3.89, 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-[1-(4-methoxyphenyl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 10926395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).