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

C20H15Br2N3O2 — CID 71223597

IUPAC2-(5-bromo-1H-indol-3-yl)-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide
SMILESCC(NC(=O)C(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C20H15Br2N3O2/c1-10(15-8-23-17-4-2-11(21)6-13(15)17)25-20(27)19(26)16-9-24-18-5-3-12(22)7-14(16)18/h2-10,23-24H,1H3,(H,25,27)
InChIKeyHNVRUVQNLNBEBJ-UHFFFAOYSA-N
MW489.17 g/mol
LogP5.23
Rot. Bonds4

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

2-(5-bromo-1H-indol-3-yl)-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide (PubChem CID 71223597) has the molecular formula C20H15Br2N3O2 and a molecular weight of 489.17 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide
PubChem CID71223597
Molecular FormulaC20H15Br2N3O2
Molecular Weight489.17 g/mol
Exact Mass486.95
IUPAC Name2-(5-bromo-1H-indol-3-yl)-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide
SMILESCC(NC(=O)C(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C20H15Br2N3O2/c1-10(15-8-23-17-4-2-11(21)6-13(15)17)25-20(27)19(26)16-9-24-18-5-3-12(22)7-14(16)18/h2-10,23-24H,1H3,(H,25,27)
InChIKeyHNVRUVQNLNBEBJ-UHFFFAOYSA-N
XLogP5.23
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.17
LogP ≤ 55.23
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

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CID 2176767
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N-(indol-3-ylglyoxylyl)benzylamine
CID 3149447
(3s,5r)-3,5-Bis(6-Bromo-1h-Indol-3-Yl)piperazin-2-One
CID 10624851
N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2068180
2-(1H-Indol-3-yl)-2-oxo-N-p-tolyl-acetamide
CID 3149444
2-(1H-Indol-3-yl)-N,N-dimethyl-2-oxo-acetamide
CID 34471
N-Ethyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 41500
Piperazine, 1-(1H-indol-3-yloxoacetyl)-4-phenyl-
CID 3054779
3-(6-bromo-1H-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5330709
Pyrrollylactam indolinone driv. 16i
CID 5331100
N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 3149449

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide (CID 71223597) is 2-(5-bromo-1H-indol-3-yl)-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide is CC(NC(=O)C(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide?
The InChIKey is HNVRUVQNLNBEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Br2N3O2/c1-10(15-8-23-17-4-2-11(21)6-13(15)17)25-20(27)19(26)16-9-24-18-5-3-12(22)7-14(16)18/h2-10,23-24H,1H3,(H,25,27).
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide?
2-(5-bromo-1H-indol-3-yl)-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide has a molecular weight of 489.17 g/mol, XLogP of 5.23, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 71223597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).