3-(2,5-dioxopyrrolidin-1-yl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide

C24H19N3O4 — CID 3240024

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4cccc(N5C(=O)CCC5=O)c4)ccc1c23
InChIInChI=1S/C24H19N3O4/c1-2-26-19-10-9-18(16-7-4-8-17(22(16)19)24(26)31)25-23(30)14-5-3-6-15(13-14)27-20(28)11-12-21(27)29/h3-10,13H,2,11-12H2,1H3,(H,25,30)
InChIKeyJTNUVYOOMCJUPT-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.73
Rot. Bonds4

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide (PubChem CID 3240024) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
PubChem CID3240024
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4cccc(N5C(=O)CCC5=O)c4)ccc1c23
InChIInChI=1S/C24H19N3O4/c1-2-26-19-10-9-18(16-7-4-8-17(22(16)19)24(26)31)25-23(30)14-5-3-6-15(13-14)27-20(28)11-12-21(27)29/h3-10,13H,2,11-12H2,1H3,(H,25,30)
InChIKeyJTNUVYOOMCJUPT-UHFFFAOYSA-N
XLogP3.73
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide (CID 3240024) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide is CCN1C(=O)c2cccc3c(NC(=O)c4cccc(N5C(=O)CCC5=O)c4)ccc1c23.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The InChIKey is JTNUVYOOMCJUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-2-26-19-10-9-18(16-7-4-8-17(22(16)19)24(26)31)25-23(30)14-5-3-6-15(13-14)27-20(28)11-12-21(27)29/h3-10,13H,2,11-12H2,1H3,(H,25,30).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide has a molecular weight of 413.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide is sourced from PubChem (CID 3240024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).