3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C13H15BrFN3O2 — CID 61175305

IUPAC3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCNCC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H15BrFN3O2/c14-10-5-9(6-11(15)7-10)13(20)17-8-12(19)18-3-1-16-2-4-18/h5-7,16H,1-4,8H2,(H,17,20)
InChIKeyGTOYGSZGEFFNJC-UHFFFAOYSA-N
MW344.18 g/mol
LogP0.75
Rot. Bonds3

About 3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 61175305) has the molecular formula C13H15BrFN3O2 and a molecular weight of 344.18 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID61175305
Molecular FormulaC13H15BrFN3O2
Molecular Weight344.18 g/mol
Exact Mass343.03
IUPAC Name3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCNCC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H15BrFN3O2/c14-10-5-9(6-11(15)7-10)13(20)17-8-12(19)18-3-1-16-2-4-18/h5-7,16H,1-4,8H2,(H,17,20)
InChIKeyGTOYGSZGEFFNJC-UHFFFAOYSA-N
XLogP0.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736842
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443290
3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 103908567
3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 107990145
2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736847
4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 63213553
3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 113286153
3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 99824173
4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61177799
3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708769
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 61175305) is 3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is O=C(NCC(=O)N1CCNCC1)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is GTOYGSZGEFFNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3O2/c14-10-5-9(6-11(15)7-10)13(20)17-8-12(19)18-3-1-16-2-4-18/h5-7,16H,1-4,8H2,(H,17,20).
What are the key properties of 3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 344.18 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 61175305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).