4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride

C14H18BrClFN3O2 — CID 119454573

IUPAC4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1ccc(Br)c(F)c1.Cl
InChIInChI=1S/C14H17BrFN3O2.ClH/c1-18(9-13(20)19-6-4-17-5-7-19)14(21)10-2-3-11(15)12(16)8-10;/h2-3,8,17H,4-7,9H2,1H3;1H
InChIKeyUSVWPERMGXPCMT-UHFFFAOYSA-N
MW394.67 g/mol
LogP1.51
Rot. Bonds3

About 4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride

4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119454573) has the molecular formula C14H18BrClFN3O2 and a molecular weight of 394.67 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119454573
Molecular FormulaC14H18BrClFN3O2
Molecular Weight394.67 g/mol
Exact Mass393.03
IUPAC Name4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1ccc(Br)c(F)c1.Cl
InChIInChI=1S/C14H17BrFN3O2.ClH/c1-18(9-13(20)19-6-4-17-5-7-19)14(21)10-2-3-11(15)12(16)8-10;/h2-3,8,17H,4-7,9H2,1H3;1H
InChIKeyUSVWPERMGXPCMT-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

3-bromo-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454891
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 43603186
5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454675
4-ethyl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454501
2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454533
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454797
2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454534
4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 80979892
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 119454837
2-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805865
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454674
2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454843

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119454573) is 4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride is CN(CC(=O)N1CCNCC1)C(=O)c1ccc(Br)c(F)c1.Cl.
What is the InChIKey of 4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is USVWPERMGXPCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3O2.ClH/c1-18(9-13(20)19-6-4-17-5-7-19)14(21)10-2-3-11(15)12(16)8-10;/h2-3,8,17H,4-7,9H2,1H3;1H.
What are the key properties of 4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
4-bromo-3-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 4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119454573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).