4-(3-bromo-4-fluorobenzoyl)piperazin-2-one

C11H10BrFN2O2 — CID 103706381

IUPAC4-(3-bromo-4-fluorobenzoyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2ccc(F)c(Br)c2)CCN1
InChIInChI=1S/C11H10BrFN2O2/c12-8-5-7(1-2-9(8)13)11(17)15-4-3-14-10(16)6-15/h1-2,5H,3-4,6H2,(H,14,16)
InChIKeyHWYRXTSWUKEIEM-UHFFFAOYSA-N
MW301.12 g/mol
LogP1.16
Rot. Bonds1

About 4-(3-bromo-4-fluorobenzoyl)piperazin-2-one

4-(3-bromo-4-fluorobenzoyl)piperazin-2-one (PubChem CID 103706381) has the molecular formula C11H10BrFN2O2 and a molecular weight of 301.12 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorobenzoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-bromo-4-fluorobenzoyl)piperazin-2-one
PubChem CID103706381
Molecular FormulaC11H10BrFN2O2
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name4-(3-bromo-4-fluorobenzoyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2ccc(F)c(Br)c2)CCN1
InChIInChI=1S/C11H10BrFN2O2/c12-8-5-7(1-2-9(8)13)11(17)15-4-3-14-10(16)6-15/h1-2,5H,3-4,6H2,(H,14,16)
InChIKeyHWYRXTSWUKEIEM-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluoro-3-nitrobenzoyl)piperazin-2-one
CID 43215729
4-(4-bromo-2-fluorobenzoyl)piperazin-2-one
CID 24701148
4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107021530
1-[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 103706279
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891
4-(3-iodobenzoyl)piperazin-2-one
CID 10381947
1-(3-fluoro-4-methylbenzoyl)-1,4-diazepan-5-one
CID 55025671
(3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103707270
4-(3-oxopiperazine-1-carbonyl)benzonitrile
CID 24699494
4-(3-bromobenzoyl)-1,4-diazepan-2-one
CID 62896483
(3-bromo-4-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 103707366

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorobenzoyl)piperazin-2-one?
The IUPAC name of 4-(3-bromo-4-fluorobenzoyl)piperazin-2-one (CID 103706381) is 4-(3-bromo-4-fluorobenzoyl)piperazin-2-one.
What is the SMILES notation for 4-(3-bromo-4-fluorobenzoyl)piperazin-2-one?
The canonical SMILES for 4-(3-bromo-4-fluorobenzoyl)piperazin-2-one is O=C1CN(C(=O)c2ccc(F)c(Br)c2)CCN1.
What is the InChIKey of 4-(3-bromo-4-fluorobenzoyl)piperazin-2-one?
The InChIKey is HWYRXTSWUKEIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O2/c12-8-5-7(1-2-9(8)13)11(17)15-4-3-14-10(16)6-15/h1-2,5H,3-4,6H2,(H,14,16).
What are the key properties of 4-(3-bromo-4-fluorobenzoyl)piperazin-2-one?
4-(3-bromo-4-fluorobenzoyl)piperazin-2-one has a molecular weight of 301.12 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorobenzoyl)piperazin-2-one is sourced from PubChem (CID 103706381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).