5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride

C14H18BrClFN3O2 — CID 119454675

IUPAC5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1cc(Br)ccc1F.Cl
InChIInChI=1S/C14H17BrFN3O2.ClH/c1-18(9-13(20)19-6-4-17-5-7-19)14(21)11-8-10(15)2-3-12(11)16;/h2-3,8,17H,4-7,9H2,1H3;1H
InChIKeySBLUEKIZPIGVSC-UHFFFAOYSA-N
MW394.67 g/mol
LogP1.51
Rot. Bonds3

About 5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride

5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119454675) has the molecular formula C14H18BrClFN3O2 and a molecular weight of 394.67 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119454675
Molecular FormulaC14H18BrClFN3O2
Molecular Weight394.67 g/mol
Exact Mass393.03
IUPAC Name5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1cc(Br)ccc1F.Cl
InChIInChI=1S/C14H17BrFN3O2.ClH/c1-18(9-13(20)19-6-4-17-5-7-19)14(21)11-8-10(15)2-3-12(11)16;/h2-3,8,17H,4-7,9H2,1H3;1H
InChIKeySBLUEKIZPIGVSC-UHFFFAOYSA-N
XLogP1.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.67
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454674
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61019216
2-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805865
2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454843
2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454543
4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454573
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018400
2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61018145
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 64951471
2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454533
2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454534
N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide
CID 115171586

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119454675) is 5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride is CN(CC(=O)N1CCNCC1)C(=O)c1cc(Br)ccc1F.Cl.
What is the InChIKey of 5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is SBLUEKIZPIGVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3O2.ClH/c1-18(9-13(20)19-6-4-17-5-7-19)14(21)11-8-10(15)2-3-12(11)16;/h2-3,8,17H,4-7,9H2,1H3;1H.
What are the key properties of 5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 394.67 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119454675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).