1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione

C11H10ClFN2O2 — CID 64962916

IUPAC1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C11H10ClFN2O2/c1-6-11(17)15(5-10(16)14-6)7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyZNZUXYMNRDOXIS-UHFFFAOYSA-N
MW256.66 g/mol
LogP1.33
Rot. Bonds1

About 1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione

1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione (PubChem CID 64962916) has the molecular formula C11H10ClFN2O2 and a molecular weight of 256.66 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
PubChem CID64962916
Molecular FormulaC11H10ClFN2O2
Molecular Weight256.66 g/mol
Exact Mass256.04
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C11H10ClFN2O2/c1-6-11(17)15(5-10(16)14-6)7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyZNZUXYMNRDOXIS-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione (CID 64962916) is 1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione is CC1NC(=O)CN(c2ccc(F)c(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione?
The InChIKey is ZNZUXYMNRDOXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2/c1-6-11(17)15(5-10(16)14-6)7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,14,16).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione?
1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione has a molecular weight of 256.66 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64962916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).