4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one

C13H14BrClN2O2 — CID 63600677

IUPAC4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H14BrClN2O2/c1-2-11-12(18)16-5-6-17(11)13(19)9-4-3-8(14)7-10(9)15/h3-4,7,11H,2,5-6H2,1H3,(H,16,18)
InChIKeyGBLYXNDSEYXERY-UHFFFAOYSA-N
MW345.62 g/mol
LogP2.45
Rot. Bonds2

About 4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one

4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one (PubChem CID 63600677) has the molecular formula C13H14BrClN2O2 and a molecular weight of 345.62 g/mol. Its IUPAC name is 4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one
PubChem CID63600677
Molecular FormulaC13H14BrClN2O2
Molecular Weight345.62 g/mol
Exact Mass343.99
IUPAC Name4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H14BrClN2O2/c1-2-11-12(18)16-5-6-17(11)13(19)9-4-3-8(14)7-10(9)15/h3-4,7,11H,2,5-6H2,1H3,(H,16,18)
InChIKeyGBLYXNDSEYXERY-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.62
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-dibromobenzoyl)-3-ethylpiperazin-2-one
CID 103882803
4-(2-chloro-5-sulfanylbenzoyl)-3-ethylpiperazin-2-one
CID 107029813
4-(5-bromo-2-chloropyridine-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601394
4-(5-amino-2-bromobenzoyl)-3-ethylpiperazin-2-one
CID 55215755
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one
CID 63601017
pentyl 2-[1-(2,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17073637
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
CID 63604617
3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one
CID 105388347
3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
CID 55217695

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one (CID 63600677) is 4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one?
The InChIKey is GBLYXNDSEYXERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2/c1-2-11-12(18)16-5-6-17(11)13(19)9-4-3-8(14)7-10(9)15/h3-4,7,11H,2,5-6H2,1H3,(H,16,18).
What are the key properties of 4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one?
4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one has a molecular weight of 345.62 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 63600677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).