1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione

C12H12BrClN2O2 — CID 104725428

IUPAC1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione
SMILESCc1cc(Br)c(N2CC(=O)NC(C)C2=O)cc1Cl
InChIInChI=1S/C12H12BrClN2O2/c1-6-3-8(13)10(4-9(6)14)16-5-11(17)15-7(2)12(16)18/h3-4,7H,5H2,1-2H3,(H,15,17)
InChIKeyOZSBZIWHAFIXPC-UHFFFAOYSA-N
MW331.60 g/mol
LogP2.26
Rot. Bonds1

About 1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione

1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione (PubChem CID 104725428) has the molecular formula C12H12BrClN2O2 and a molecular weight of 331.60 g/mol. Its IUPAC name is 1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione
PubChem CID104725428
Molecular FormulaC12H12BrClN2O2
Molecular Weight331.60 g/mol
Exact Mass329.98
IUPAC Name1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione
SMILESCc1cc(Br)c(N2CC(=O)NC(C)C2=O)cc1Cl
InChIInChI=1S/C12H12BrClN2O2/c1-6-3-8(13)10(4-9(6)14)16-5-11(17)15-7(2)12(16)18/h3-4,7H,5H2,1-2H3,(H,15,17)
InChIKeyOZSBZIWHAFIXPC-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione
CID 64970237
1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione
CID 107594316
3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one
CID 104725658
1-(2-bromo-5-chloro-4-methylphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 104725412
1-(2-bromo-5-chloro-4-methylphenyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 104725437
1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one
CID 113445697
1-(4-bromo-2-ethylphenyl)-3-methylpiperazine-2,5-dione
CID 81290854
3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione
CID 107841891
1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one
CID 104725316
1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 64962916
1-(1,3-dimethylpyrazol-4-yl)-3-methylpiperazine-2,5-dione
CID 102807608
1-(4-bromo-2-chlorophenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64963380

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione (CID 104725428) is 1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione is Cc1cc(Br)c(N2CC(=O)NC(C)C2=O)cc1Cl.
What is the InChIKey of 1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione?
The InChIKey is OZSBZIWHAFIXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O2/c1-6-3-8(13)10(4-9(6)14)16-5-11(17)15-7(2)12(16)18/h3-4,7H,5H2,1-2H3,(H,15,17).
What are the key properties of 1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione?
1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione has a molecular weight of 331.60 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 104725428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).