2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide

C13H13BrN2O3 — CID 43309780

IUPAC2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1C(=O)C(=O)c2c(Br)cccc21
InChIInChI=1S/C13H13BrN2O3/c1-3-15(2)10(17)7-16-9-6-4-5-8(14)11(9)12(18)13(16)19/h4-6H,3,7H2,1-2H3
InChIKeyJWORGPKSXBEAGU-UHFFFAOYSA-N
MW325.16 g/mol
LogP1.46
Rot. Bonds3

About 2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide

2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide (PubChem CID 43309780) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
PubChem CID43309780
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1C(=O)C(=O)c2c(Br)cccc21
InChIInChI=1S/C13H13BrN2O3/c1-3-15(2)10(17)7-16-9-6-4-5-8(14)11(9)12(18)13(16)19/h4-6H,3,7H2,1-2H3
InChIKeyJWORGPKSXBEAGU-UHFFFAOYSA-N
XLogP1.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 51.46
H-Bond Donors ≤ 50
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-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide (CID 43309780) is 2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN1C(=O)C(=O)c2c(Br)cccc21.
What is the InChIKey of 2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide?
The InChIKey is JWORGPKSXBEAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-3-15(2)10(17)7-16-9-6-4-5-8(14)11(9)12(18)13(16)19/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide?
2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide has a molecular weight of 325.16 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 43309780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).