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

C15H15BrN2O3 — CID 29299798

IUPAC2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide
SMILESO=C(CN1C(=O)C(=O)c2ccc(Br)cc21)NC1CCCC1
InChIInChI=1S/C15H15BrN2O3/c16-9-5-6-11-12(7-9)18(15(21)14(11)20)8-13(19)17-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,17,19)
InChIKeyLACMSRXGHGIZLA-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.04
Rot. Bonds3

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

2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide (PubChem CID 29299798) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide
PubChem CID29299798
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide
SMILESO=C(CN1C(=O)C(=O)c2ccc(Br)cc21)NC1CCCC1
InChIInChI=1S/C15H15BrN2O3/c16-9-5-6-11-12(7-9)18(15(21)14(11)20)8-13(19)17-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,17,19)
InChIKeyLACMSRXGHGIZLA-UHFFFAOYSA-N
XLogP2.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide
CID 60707228
6-bromo-1-(cyclobutylmethyl)indole-2,3-dione
CID 65459439
2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide
CID 141415197
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide
CID 36597584
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide
CID 113201443
4-(6-bromo-2,3-dioxoindol-1-yl)butanoic acid
CID 18072187
2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide
CID 61357107
6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione
CID 107912778
N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18136582
2-(6-bromo-4-oxoquinolin-1-yl)-N-cyclooctylacetamide
CID 100737684
2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide
CID 78961186
2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide
CID 17200925

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide?
The IUPAC name of 2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide (CID 29299798) is 2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide is O=C(CN1C(=O)C(=O)c2ccc(Br)cc21)NC1CCCC1.
What is the InChIKey of 2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide?
The InChIKey is LACMSRXGHGIZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c16-9-5-6-11-12(7-9)18(15(21)14(11)20)8-13(19)17-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,17,19).
What are the key properties of 2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide?
2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide has a molecular weight of 351.20 g/mol, XLogP of 2.04, 3 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-cyclopentylacetamide is sourced from PubChem (CID 29299798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).