4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione

C11H8ClFN2O3 — CID 66084168

IUPAC4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2ccc(Cl)cc2F)CC(=O)N1
InChIInChI=1S/C11H8ClFN2O3/c12-6-1-2-7(8(13)3-6)11(18)15-4-9(16)14-10(17)5-15/h1-3H,4-5H2,(H,14,16,17)
InChIKeyQFWUFLQFCKWJJL-UHFFFAOYSA-N
MW270.65 g/mol
LogP0.58
Rot. Bonds1

About 4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione

4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione (PubChem CID 66084168) has the molecular formula C11H8ClFN2O3 and a molecular weight of 270.65 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione
PubChem CID66084168
Molecular FormulaC11H8ClFN2O3
Molecular Weight270.65 g/mol
Exact Mass270.02
IUPAC Name4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2ccc(Cl)cc2F)CC(=O)N1
InChIInChI=1S/C11H8ClFN2O3/c12-6-1-2-7(8(13)3-6)11(18)15-4-9(16)14-10(17)5-15/h1-3H,4-5H2,(H,14,16,17)
InChIKeyQFWUFLQFCKWJJL-UHFFFAOYSA-N
XLogP0.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.65
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione (CID 66084168) is 4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione is O=C1CN(C(=O)c2ccc(Cl)cc2F)CC(=O)N1.
What is the InChIKey of 4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione?
The InChIKey is QFWUFLQFCKWJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O3/c12-6-1-2-7(8(13)3-6)11(18)15-4-9(16)14-10(17)5-15/h1-3H,4-5H2,(H,14,16,17).
What are the key properties of 4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione?
4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione has a molecular weight of 270.65 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione is sourced from PubChem (CID 66084168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).