1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione

C11H10BrFN2O2 — CID 64962977

IUPAC1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NCC(=O)N1c1ccc(F)cc1Br
InChIInChI=1S/C11H10BrFN2O2/c1-6-11(17)14-5-10(16)15(6)9-3-2-7(13)4-8(9)12/h2-4,6H,5H2,1H3,(H,14,17)
InChIKeyXGUFYMCTNOTRMJ-UHFFFAOYSA-N
MW301.12 g/mol
LogP1.44
Rot. Bonds1

About 1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione

1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione (PubChem CID 64962977) has the molecular formula C11H10BrFN2O2 and a molecular weight of 301.12 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione
PubChem CID64962977
Molecular FormulaC11H10BrFN2O2
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NCC(=O)N1c1ccc(F)cc1Br
InChIInChI=1S/C11H10BrFN2O2/c1-6-11(17)14-5-10(16)15(6)9-3-2-7(13)4-8(9)12/h2-4,6H,5H2,1H3,(H,14,17)
InChIKeyXGUFYMCTNOTRMJ-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione (CID 64962977) is 1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione is CC1C(=O)NCC(=O)N1c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione?
The InChIKey is XGUFYMCTNOTRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O2/c1-6-11(17)14-5-10(16)15(6)9-3-2-7(13)4-8(9)12/h2-4,6H,5H2,1H3,(H,14,17).
What are the key properties of 1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione?
1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione has a molecular weight of 301.12 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64962977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).