2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide

C15H17BrN2O3 — CID 60707228

IUPAC2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1C(=O)C(=O)c2ccc(Br)cc21
InChIInChI=1S/C15H17BrN2O3/c1-3-10(4-2)17-13(19)8-18-12-7-9(16)5-6-11(12)14(20)15(18)21/h5-7,10H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyOPHPWHGSINKFBZ-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.28
Rot. Bonds5

About 2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide

2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide (PubChem CID 60707228) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide
PubChem CID60707228
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1C(=O)C(=O)c2ccc(Br)cc21
InChIInChI=1S/C15H17BrN2O3/c1-3-10(4-2)17-13(19)8-18-12-7-9(16)5-6-11(12)14(20)15(18)21/h5-7,10H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyOPHPWHGSINKFBZ-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.28
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 2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide (CID 60707228) is 2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN1C(=O)C(=O)c2ccc(Br)cc21.
What is the InChIKey of 2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide?
The InChIKey is OPHPWHGSINKFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-3-10(4-2)17-13(19)8-18-12-7-9(16)5-6-11(12)14(20)15(18)21/h5-7,10H,3-4,8H2,1-2H3,(H,17,19).
What are the key properties of 2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide?
2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide has a molecular weight of 353.22 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 60707228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).