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

C19H17BrN2O3 — CID 2775970

IUPAC2-(5-bromo-1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
SMILESCOc1ccc(CCNC(=O)C(=O)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C19H17BrN2O3/c1-25-14-5-2-12(3-6-14)8-9-21-19(24)18(23)16-11-22-17-7-4-13(20)10-15(16)17/h2-7,10-11,22H,8-9H2,1H3,(H,21,24)
InChIKeyHYLGBUMAKNXFKG-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.48
Rot. Bonds6

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

2-(5-bromo-1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide (PubChem CID 2775970) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
PubChem CID2775970
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Name2-(5-bromo-1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
SMILESCOc1ccc(CCNC(=O)C(=O)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C19H17BrN2O3/c1-25-14-5-2-12(3-6-14)8-9-21-19(24)18(23)16-11-22-17-7-4-13(20)10-15(16)17/h2-7,10-11,22H,8-9H2,1H3,(H,21,24)
InChIKeyHYLGBUMAKNXFKG-UHFFFAOYSA-N
XLogP3.48
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.48
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-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide (CID 2775970) is 2-(5-bromo-1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide is COc1ccc(CCNC(=O)C(=O)c2c[nH]c3ccc(Br)cc23)cc1.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide?
The InChIKey is HYLGBUMAKNXFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-25-14-5-2-12(3-6-14)8-9-21-19(24)18(23)16-11-22-17-7-4-13(20)10-15(16)17/h2-7,10-11,22H,8-9H2,1H3,(H,21,24).
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide?
2-(5-bromo-1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide has a molecular weight of 401.26 g/mol, XLogP of 3.48, 6 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-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 2775970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).