1-(2-bromo-5-chloro-4-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione

C14H16BrClN2O2 — CID 104725441

IUPAC1-(2-bromo-5-chloro-4-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione
SMILESCc1cc(Br)c(N2C(=O)C(C)(C)NC(=O)C2C)cc1Cl
InChIInChI=1S/C14H16BrClN2O2/c1-7-5-9(15)11(6-10(7)16)18-8(2)12(19)17-14(3,4)13(18)20/h5-6,8H,1-4H3,(H,17,19)
InChIKeyKFFJZWUINHZKOH-UHFFFAOYSA-N
MW359.65 g/mol
LogP3.04
Rot. Bonds1

About 1-(2-bromo-5-chloro-4-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione

1-(2-bromo-5-chloro-4-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione (PubChem CID 104725441) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is 1-(2-bromo-5-chloro-4-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-5-chloro-4-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione
PubChem CID104725441
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC Name1-(2-bromo-5-chloro-4-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione
SMILESCc1cc(Br)c(N2C(=O)C(C)(C)NC(=O)C2C)cc1Cl
InChIInChI=1S/C14H16BrClN2O2/c1-7-5-9(15)11(6-10(7)16)18-8(2)12(19)17-14(3,4)13(18)20/h5-6,8H,1-4H3,(H,17,19)
InChIKeyKFFJZWUINHZKOH-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64963404
1-(5-fluoro-2-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64958983
1-(2-bromo-5-chloro-4-methylphenyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 104725437
1-(3-chloro-5-fluorophenyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 107370927
1-(2-methoxy-5-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64956788
3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962096
1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione
CID 104725428
3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione
CID 107841891
3,3,6-trimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione
CID 107646480
1-(3-bromo-5-methoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 82858572
1-(5-bromo-2-chlorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64970117
1-(2-bromo-5-methylphenyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 82749872

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione (CID 104725441) is 1-(2-bromo-5-chloro-4-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-bromo-5-chloro-4-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-bromo-5-chloro-4-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione is Cc1cc(Br)c(N2C(=O)C(C)(C)NC(=O)C2C)cc1Cl.
What is the InChIKey of 1-(2-bromo-5-chloro-4-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione?
The InChIKey is KFFJZWUINHZKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c1-7-5-9(15)11(6-10(7)16)18-8(2)12(19)17-14(3,4)13(18)20/h5-6,8H,1-4H3,(H,17,19).
What are the key properties of 1-(2-bromo-5-chloro-4-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione?
1-(2-bromo-5-chloro-4-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione has a molecular weight of 359.65 g/mol, XLogP of 3.04, 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)-3,3,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 104725441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).