1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione

C20H17BrN2O2 — CID 2981951

IUPAC1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione
SMILESCCn1cc(C2CC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21
InChIInChI=1S/C20H17BrN2O2/c1-2-22-12-17(15-5-3-4-6-18(15)22)16-11-19(24)23(20(16)25)14-9-7-13(21)8-10-14/h3-10,12,16H,2,11H2,1H3
InChIKeyDOIHWHBWFHPTAJ-UHFFFAOYSA-N
MW397.27 g/mol
LogP4.47
Rot. Bonds3

About 1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione

1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione (PubChem CID 2981951) has the molecular formula C20H17BrN2O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione
PubChem CID2981951
Molecular FormulaC20H17BrN2O2
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC Name1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione
SMILESCCn1cc(C2CC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21
InChIInChI=1S/C20H17BrN2O2/c1-2-22-12-17(15-5-3-4-6-18(15)22)16-11-19(24)23(20(16)25)14-9-7-13(21)8-10-14/h3-10,12,16H,2,11H2,1H3
InChIKeyDOIHWHBWFHPTAJ-UHFFFAOYSA-N
XLogP4.47
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione (CID 2981951) is 1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione is CCn1cc(C2CC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21.
What is the InChIKey of 1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is DOIHWHBWFHPTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2/c1-2-22-12-17(15-5-3-4-6-18(15)22)16-11-19(24)23(20(16)25)14-9-7-13(21)8-10-14/h3-10,12,16H,2,11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione?
1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 397.27 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2981951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).