1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione

C11H10BrClN2O2 — CID 64970237

IUPAC1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(c2cc(Br)ccc2Cl)C1=O
InChIInChI=1S/C11H10BrClN2O2/c1-6-11(17)15(5-10(16)14-6)9-4-7(12)2-3-8(9)13/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeySAXKBIZREPXVGF-UHFFFAOYSA-N
MW317.57 g/mol
LogP1.95
Rot. Bonds1

About 1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione

1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione (PubChem CID 64970237) has the molecular formula C11H10BrClN2O2 and a molecular weight of 317.57 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione
PubChem CID64970237
Molecular FormulaC11H10BrClN2O2
Molecular Weight317.57 g/mol
Exact Mass315.96
IUPAC Name1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(c2cc(Br)ccc2Cl)C1=O
InChIInChI=1S/C11H10BrClN2O2/c1-6-11(17)15(5-10(16)14-6)9-4-7(12)2-3-8(9)13/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeySAXKBIZREPXVGF-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione (CID 64970237) is 1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione is CC1NC(=O)CN(c2cc(Br)ccc2Cl)C1=O.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione?
The InChIKey is SAXKBIZREPXVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2/c1-6-11(17)15(5-10(16)14-6)9-4-7(12)2-3-8(9)13/h2-4,6H,5H2,1H3,(H,14,16).
What are the key properties of 1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione?
1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione has a molecular weight of 317.57 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64970237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).