3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione

C11H8BrCl2NO2 — CID 171541392

IUPAC3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione
SMILESO=C1CCC(c2c(Cl)cc(Br)cc2Cl)C(=O)N1
InChIInChI=1S/C11H8BrCl2NO2/c12-5-3-7(13)10(8(14)4-5)6-1-2-9(16)15-11(6)17/h3-4,6H,1-2H2,(H,15,16,17)
InChIKeyHMINYVSATKVBQB-UHFFFAOYSA-N
MW337.00 g/mol
LogP3.28
Rot. Bonds1

About 3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione

3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione (PubChem CID 171541392) has the molecular formula C11H8BrCl2NO2 and a molecular weight of 337.00 g/mol. Its IUPAC name is 3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione
PubChem CID171541392
Molecular FormulaC11H8BrCl2NO2
Molecular Weight337.00 g/mol
Exact Mass334.91
IUPAC Name3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione
SMILESO=C1CCC(c2c(Cl)cc(Br)cc2Cl)C(=O)N1
InChIInChI=1S/C11H8BrCl2NO2/c12-5-3-7(13)10(8(14)4-5)6-1-2-9(16)15-11(6)17/h3-4,6H,1-2H2,(H,15,16,17)
InChIKeyHMINYVSATKVBQB-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.00
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione
CID 171541166
3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione
CID 163627145
3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione
CID 170979047
butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione
CID 172617426
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide
CID 176846824
CID 177052361
CID 177052361
(3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione
CID 174105700
3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione
CID 176558861
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(5-fluoropyrimidin-2-yl)-2-methylpropanamide
CID 176846759
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(1,2-oxazol-3-yl)propanamide
CID 176846823
2-bromo-5-(2,6-dioxopiperidin-3-yl)benzonitrile
CID 171540913
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide
CID 176846793

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione?
The IUPAC name of 3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione (CID 171541392) is 3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione is O=C1CCC(c2c(Cl)cc(Br)cc2Cl)C(=O)N1.
What is the InChIKey of 3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione?
The InChIKey is HMINYVSATKVBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2NO2/c12-5-3-7(13)10(8(14)4-5)6-1-2-9(16)15-11(6)17/h3-4,6H,1-2H2,(H,15,16,17).
What are the key properties of 3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione?
3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione has a molecular weight of 337.00 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione is sourced from PubChem (CID 171541392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).