2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C13H15BrFN3O2 — CID 115736847

IUPAC2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCNCC1)c1c(F)cccc1Br
InChIInChI=1S/C13H15BrFN3O2/c14-9-2-1-3-10(15)12(9)13(20)17-8-11(19)18-6-4-16-5-7-18/h1-3,16H,4-8H2,(H,17,20)
InChIKeyZRHZZNFCYXNLCJ-UHFFFAOYSA-N
MW344.18 g/mol
LogP0.75
Rot. Bonds3

About 2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 115736847) has the molecular formula C13H15BrFN3O2 and a molecular weight of 344.18 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID115736847
Molecular FormulaC13H15BrFN3O2
Molecular Weight344.18 g/mol
Exact Mass343.03
IUPAC Name2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCNCC1)c1c(F)cccc1Br
InChIInChI=1S/C13H15BrFN3O2/c14-9-2-1-3-10(15)12(9)13(20)17-8-11(19)18-6-4-16-5-7-18/h1-3,16H,4-8H2,(H,17,20)
InChIKeyZRHZZNFCYXNLCJ-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

2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 115678936
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61175305
4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61177799
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
N-(2-amino-2-sulfanylideneethyl)-2-bromo-6-fluorobenzamide
CID 114559233
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708758
3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 107990145
4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 63213553
3-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981277
3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736842
2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944140

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 115736847) is 2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is O=C(NCC(=O)N1CCNCC1)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is ZRHZZNFCYXNLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3O2/c14-9-2-1-3-10(15)12(9)13(20)17-8-11(19)18-6-4-16-5-7-18/h1-3,16H,4-8H2,(H,17,20).
What are the key properties of 2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
2-bromo-6-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 2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 115736847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).