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

C14H15BrClFN2O2 — CID 107617399

IUPAC1-(2-bromo-6-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2c(Cl)cc(F)cc2Br)C1=O
InChIInChI=1S/C14H15BrClFN2O2/c1-3-10-14(21)19(11(4-2)13(20)18-10)12-8(15)5-7(17)6-9(12)16/h5-6,10-11H,3-4H2,1-2H3,(H,18,20)
InChIKeyWDBFUVUTWWDDRH-UHFFFAOYSA-N
MW377.64 g/mol
LogP3.26
Rot. Bonds3

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

1-(2-bromo-6-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione (PubChem CID 107617399) has the molecular formula C14H15BrClFN2O2 and a molecular weight of 377.64 g/mol. Its IUPAC name is 1-(2-bromo-6-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-6-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
PubChem CID107617399
Molecular FormulaC14H15BrClFN2O2
Molecular Weight377.64 g/mol
Exact Mass376.00
IUPAC Name1-(2-bromo-6-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2c(Cl)cc(F)cc2Br)C1=O
InChIInChI=1S/C14H15BrClFN2O2/c1-3-10-14(21)19(11(4-2)13(20)18-10)12-8(15)5-7(17)6-9(12)16/h5-6,10-11H,3-4H2,1-2H3,(H,18,20)
InChIKeyWDBFUVUTWWDDRH-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.64
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione (CID 107617399) is 1-(2-bromo-6-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-bromo-6-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-bromo-6-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione is CCC1NC(=O)C(CC)N(c2c(Cl)cc(F)cc2Br)C1=O.
What is the InChIKey of 1-(2-bromo-6-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione?
The InChIKey is WDBFUVUTWWDDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClFN2O2/c1-3-10-14(21)19(11(4-2)13(20)18-10)12-8(15)5-7(17)6-9(12)16/h5-6,10-11H,3-4H2,1-2H3,(H,18,20).
What are the key properties of 1-(2-bromo-6-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione?
1-(2-bromo-6-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione has a molecular weight of 377.64 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione is sourced from PubChem (CID 107617399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).