4-(2-bromo-5-chlorophenyl)-3-ethylpiperidine-2,6-dione

C13H13BrClNO2 — CID 79320483

IUPAC4-(2-bromo-5-chlorophenyl)-3-ethylpiperidine-2,6-dione
SMILESCCC1C(=O)NC(=O)CC1c1cc(Cl)ccc1Br
InChIInChI=1S/C13H13BrClNO2/c1-2-8-9(6-12(17)16-13(8)18)10-5-7(15)3-4-11(10)14/h3-5,8-9H,2,6H2,1H3,(H,16,17,18)
InChIKeyWDMUSZUSQVCFCT-UHFFFAOYSA-N
MW330.61 g/mol
LogP3.26
Rot. Bonds2

About 4-(2-bromo-5-chlorophenyl)-3-ethylpiperidine-2,6-dione

4-(2-bromo-5-chlorophenyl)-3-ethylpiperidine-2,6-dione (PubChem CID 79320483) has the molecular formula C13H13BrClNO2 and a molecular weight of 330.61 g/mol. Its IUPAC name is 4-(2-bromo-5-chlorophenyl)-3-ethylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(2-bromo-5-chlorophenyl)-3-ethylpiperidine-2,6-dione
PubChem CID79320483
Molecular FormulaC13H13BrClNO2
Molecular Weight330.61 g/mol
Exact Mass328.98
IUPAC Name4-(2-bromo-5-chlorophenyl)-3-ethylpiperidine-2,6-dione
SMILESCCC1C(=O)NC(=O)CC1c1cc(Cl)ccc1Br
InChIInChI=1S/C13H13BrClNO2/c1-2-8-9(6-12(17)16-13(8)18)10-5-7(15)3-4-11(10)14/h3-5,8-9H,2,6H2,1H3,(H,16,17,18)
InChIKeyWDMUSZUSQVCFCT-UHFFFAOYSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-chlorophenyl)-3-ethylpiperidine-2,6-dione?
The IUPAC name of 4-(2-bromo-5-chlorophenyl)-3-ethylpiperidine-2,6-dione (CID 79320483) is 4-(2-bromo-5-chlorophenyl)-3-ethylpiperidine-2,6-dione.
What is the SMILES notation for 4-(2-bromo-5-chlorophenyl)-3-ethylpiperidine-2,6-dione?
The canonical SMILES for 4-(2-bromo-5-chlorophenyl)-3-ethylpiperidine-2,6-dione is CCC1C(=O)NC(=O)CC1c1cc(Cl)ccc1Br.
What is the InChIKey of 4-(2-bromo-5-chlorophenyl)-3-ethylpiperidine-2,6-dione?
The InChIKey is WDMUSZUSQVCFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO2/c1-2-8-9(6-12(17)16-13(8)18)10-5-7(15)3-4-11(10)14/h3-5,8-9H,2,6H2,1H3,(H,16,17,18).
What are the key properties of 4-(2-bromo-5-chlorophenyl)-3-ethylpiperidine-2,6-dione?
4-(2-bromo-5-chlorophenyl)-3-ethylpiperidine-2,6-dione has a molecular weight of 330.61 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-chlorophenyl)-3-ethylpiperidine-2,6-dione is sourced from PubChem (CID 79320483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).