3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione

C17H12BrNO3 — CID 172538516

IUPAC3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(c2coc3ccc4cc(Br)ccc4c23)C(=O)N1
InChIInChI=1S/C17H12BrNO3/c18-10-2-3-11-9(7-10)1-5-14-16(11)13(8-22-14)12-4-6-15(20)19-17(12)21/h1-3,5,7-8,12H,4,6H2,(H,19,20,21)
InChIKeyUEAQYODAFXWDKG-UHFFFAOYSA-N
MW358.19 g/mol
LogP3.87
Rot. Bonds1

About 3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione

3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione (PubChem CID 172538516) has the molecular formula C17H12BrNO3 and a molecular weight of 358.19 g/mol. Its IUPAC name is 3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
PubChem CID172538516
Molecular FormulaC17H12BrNO3
Molecular Weight358.19 g/mol
Exact Mass357.00
IUPAC Name3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(c2coc3ccc4cc(Br)ccc4c23)C(=O)N1
InChIInChI=1S/C17H12BrNO3/c18-10-2-3-11-9(7-10)1-5-14-16(11)13(8-22-14)12-4-6-15(20)19-17(12)21/h1-3,5,7-8,12H,4,6H2,(H,19,20,21)
InChIKeyUEAQYODAFXWDKG-UHFFFAOYSA-N
XLogP3.87
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 166645438
3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147536967
(3S)-3-(7-bromobenzo[e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
CID 163969965
(3S)-3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 158099478
tert-butyl N-[1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-yl]carbamate
CID 158099480
(3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 160897263
3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147267812
N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide
CID 177117602
(3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one
CID 161164268
3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione
CID 176508886
3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione
CID 170181374
tert-butyl 4-[2-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-yl]oxyethylamino]piperidine-1-carboxylate
CID 160599860

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione (CID 172538516) is 3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione is O=C1CCC(c2coc3ccc4cc(Br)ccc4c23)C(=O)N1.
What is the InChIKey of 3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione?
The InChIKey is UEAQYODAFXWDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO3/c18-10-2-3-11-9(7-10)1-5-14-16(11)13(8-22-14)12-4-6-15(20)19-17(12)21/h1-3,5,7-8,12H,4,6H2,(H,19,20,21).
What are the key properties of 3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione?
3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione has a molecular weight of 358.19 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 172538516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).