2-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide

C15H15BrN2O3 — CID 61488838

IUPAC2-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1C(=O)C(=O)c2cc(Br)ccc21)C1CC1
InChIInChI=1S/C15H15BrN2O3/c1-2-17(10-4-5-10)13(19)8-18-12-6-3-9(16)7-11(12)14(20)15(18)21/h3,6-7,10H,2,4-5,8H2,1H3
InChIKeyAJBZNKSAHCHVHI-UHFFFAOYSA-N
MW351.20 g/mol
LogP1.99
Rot. Bonds4

About 2-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide

2-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide (PubChem CID 61488838) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide
PubChem CID61488838
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name2-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1C(=O)C(=O)c2cc(Br)ccc21)C1CC1
InChIInChI=1S/C15H15BrN2O3/c1-2-17(10-4-5-10)13(19)8-18-12-6-3-9(16)7-11(12)14(20)15(18)21/h3,6-7,10H,2,4-5,8H2,1H3
InChIKeyAJBZNKSAHCHVHI-UHFFFAOYSA-N
XLogP1.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 51.99
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-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide (CID 61488838) is 2-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CN1C(=O)C(=O)c2cc(Br)ccc21)C1CC1.
What is the InChIKey of 2-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is AJBZNKSAHCHVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-2-17(10-4-5-10)13(19)8-18-12-6-3-9(16)7-11(12)14(20)15(18)21/h3,6-7,10H,2,4-5,8H2,1H3.
What are the key properties of 2-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide?
2-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 351.20 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 61488838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).