2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide

C17H13BrN2O3 — CID 16762157

IUPAC2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C17H13BrN2O3/c1-23-12-5-3-11(4-6-12)20-17(22)16(21)14-9-19-15-7-2-10(18)8-13(14)15/h2-9,19H,1H3,(H,20,22)
InChIKeyPFMAZLPSXXISML-UHFFFAOYSA-N
MW373.21 g/mol
LogP3.76
Rot. Bonds4

About 2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide

2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide (PubChem CID 16762157) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
PubChem CID16762157
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC Name2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C17H13BrN2O3/c1-23-12-5-3-11(4-6-12)20-17(22)16(21)14-9-19-15-7-2-10(18)8-13(14)15/h2-9,19H,1H3,(H,20,22)
InChIKeyPFMAZLPSXXISML-UHFFFAOYSA-N
XLogP3.76
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.76
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-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide (CID 16762157) is 2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide is COc1ccc(NC(=O)C(=O)c2c[nH]c3ccc(Br)cc23)cc1.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
The InChIKey is PFMAZLPSXXISML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3/c1-23-12-5-3-11(4-6-12)20-17(22)16(21)14-9-19-15-7-2-10(18)8-13(14)15/h2-9,19H,1H3,(H,20,22).
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide has a molecular weight of 373.21 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 16762157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).