1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione

C14H16BrClN2O2 — CID 64963355

IUPAC1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2ccc(Br)cc2Cl)C1=O
InChIInChI=1S/C14H16BrClN2O2/c1-3-10-14(20)18(11(4-2)13(19)17-10)12-6-5-8(15)7-9(12)16/h5-7,10-11H,3-4H2,1-2H3,(H,17,19)
InChIKeySGWFSQNGWDQWEK-UHFFFAOYSA-N
MW359.65 g/mol
LogP3.12
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione

1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione (PubChem CID 64963355) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione
PubChem CID64963355
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC Name1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2ccc(Br)cc2Cl)C1=O
InChIInChI=1S/C14H16BrClN2O2/c1-3-10-14(20)18(11(4-2)13(19)17-10)12-6-5-8(15)7-9(12)16/h5-7,10-11H,3-4H2,1-2H3,(H,17,19)
InChIKeySGWFSQNGWDQWEK-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione (CID 64963355) is 1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione is CCC1NC(=O)C(CC)N(c2ccc(Br)cc2Cl)C1=O.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione?
The InChIKey is SGWFSQNGWDQWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c1-3-10-14(20)18(11(4-2)13(19)17-10)12-6-5-8(15)7-9(12)16/h5-7,10-11H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione?
1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione has a molecular weight of 359.65 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione is sourced from PubChem (CID 64963355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).