3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide

C14H15BrN2O3 — CID 62325713

IUPAC3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1C(=O)C(=O)c2cc(Br)cc(C)c21
InChIInChI=1S/C14H15BrN2O3/c1-3-16-11(18)4-5-17-12-8(2)6-9(15)7-10(12)13(19)14(17)20/h6-7H,3-5H2,1-2H3,(H,16,18)
InChIKeyIZIUEHWTCVOQMY-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.81
Rot. Bonds4

About 3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide

3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide (PubChem CID 62325713) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide
PubChem CID62325713
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1C(=O)C(=O)c2cc(Br)cc(C)c21
InChIInChI=1S/C14H15BrN2O3/c1-3-16-11(18)4-5-17-12-8(2)6-9(15)7-10(12)13(19)14(17)20/h6-7H,3-5H2,1-2H3,(H,16,18)
InChIKeyIZIUEHWTCVOQMY-UHFFFAOYSA-N
XLogP1.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
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 3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide (CID 62325713) is 3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide is CCNC(=O)CCN1C(=O)C(=O)c2cc(Br)cc(C)c21.
What is the InChIKey of 3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide?
The InChIKey is IZIUEHWTCVOQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-3-16-11(18)4-5-17-12-8(2)6-9(15)7-10(12)13(19)14(17)20/h6-7H,3-5H2,1-2H3,(H,16,18).
What are the key properties of 3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide?
3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide has a molecular weight of 339.19 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 62325713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).