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

C11H8ClFN2O3 — CID 66083390

IUPAC4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2c(F)cccc2Cl)CC(=O)N1
InChIInChI=1S/C11H8ClFN2O3/c12-6-2-1-3-7(13)10(6)11(18)15-4-8(16)14-9(17)5-15/h1-3H,4-5H2,(H,14,16,17)
InChIKeyYOJWUPFOPZWQCT-UHFFFAOYSA-N
MW270.65 g/mol
LogP0.58
Rot. Bonds1

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

4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione (PubChem CID 66083390) has the molecular formula C11H8ClFN2O3 and a molecular weight of 270.65 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione
PubChem CID66083390
Molecular FormulaC11H8ClFN2O3
Molecular Weight270.65 g/mol
Exact Mass270.02
IUPAC Name4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2c(F)cccc2Cl)CC(=O)N1
InChIInChI=1S/C11H8ClFN2O3/c12-6-2-1-3-7(13)10(6)11(18)15-4-8(16)14-9(17)5-15/h1-3H,4-5H2,(H,14,16,17)
InChIKeyYOJWUPFOPZWQCT-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'}

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Related Compounds

4-(2-amino-6-chlorobenzoyl)piperazine-2,6-dione
CID 66083078
4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione
CID 66085710
1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one
CID 84582258
(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 139023381
4-(3-amino-2,6-difluorobenzoyl)piperazine-2,6-dione
CID 79772834
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108536978
4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione
CID 66084168
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 108536557
(4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone
CID 113074834
2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119307920
(2-chloro-6-fluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638999

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione (CID 66083390) is 4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione is O=C1CN(C(=O)c2c(F)cccc2Cl)CC(=O)N1.
What is the InChIKey of 4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione?
The InChIKey is YOJWUPFOPZWQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O3/c12-6-2-1-3-7(13)10(6)11(18)15-4-8(16)14-9(17)5-15/h1-3H,4-5H2,(H,14,16,17).
What are the key properties of 4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione?
4-(2-chloro-6-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-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione is sourced from PubChem (CID 66083390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).