2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide

C20H15Br2N3O2 — CID 118899491

IUPAC2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide
SMILESO=C(NCCc1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C20H15Br2N3O2/c21-12-1-3-14-11(9-24-17(14)7-12)5-6-23-20(27)19(26)16-10-25-18-8-13(22)2-4-15(16)18/h1-4,7-10,24-25H,5-6H2,(H,23,27)
InChIKeyGNSNXFZDPADDBE-UHFFFAOYSA-N
MW489.17 g/mol
LogP4.72
Rot. Bonds5

About 2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide

2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide (PubChem CID 118899491) has the molecular formula C20H15Br2N3O2 and a molecular weight of 489.17 g/mol. Its IUPAC name is 2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide
PubChem CID118899491
Molecular FormulaC20H15Br2N3O2
Molecular Weight489.17 g/mol
Exact Mass486.95
IUPAC Name2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide
SMILESO=C(NCCc1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C20H15Br2N3O2/c21-12-1-3-14-11(9-24-17(14)7-12)5-6-23-20(27)19(26)16-10-25-18-8-13(22)2-4-15(16)18/h1-4,7-10,24-25H,5-6H2,(H,23,27)
InChIKeyGNSNXFZDPADDBE-UHFFFAOYSA-N
XLogP4.72
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.17
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-bromo-1H-indol-3-yl)-N-[3-[10-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]decylamino]propyl]-2-oxoacetamide
CID 155519812
2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine
CID 88853409
2-(6-fluoro-1H-indol-3-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 113208583
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide
CID 155518400
6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 55558900
2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide
CID 113083740
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide
CID 155563944
5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112528829
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide
CID 113208798
2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208619
1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 155514959
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide (CID 118899491) is 2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide is O=C(NCCc1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide?
The InChIKey is GNSNXFZDPADDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Br2N3O2/c21-12-1-3-14-11(9-24-17(14)7-12)5-6-23-20(27)19(26)16-10-25-18-8-13(22)2-4-15(16)18/h1-4,7-10,24-25H,5-6H2,(H,23,27).
What are the key properties of 2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide?
2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide has a molecular weight of 489.17 g/mol, XLogP of 4.72, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 118899491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).