3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C13H15BrClN3O2 — CID 107990145

IUPAC3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCNCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H15BrClN3O2/c14-10-7-9(1-2-11(10)15)13(20)17-8-12(19)18-5-3-16-4-6-18/h1-2,7,16H,3-6,8H2,(H,17,20)
InChIKeyQLGBHPHKHDWJSO-UHFFFAOYSA-N
MW360.64 g/mol
LogP1.26
Rot. Bonds3

About 3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 107990145) has the molecular formula C13H15BrClN3O2 and a molecular weight of 360.64 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID107990145
Molecular FormulaC13H15BrClN3O2
Molecular Weight360.64 g/mol
Exact Mass359.00
IUPAC Name3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCNCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H15BrClN3O2/c14-10-7-9(1-2-11(10)15)13(20)17-8-12(19)18-5-3-16-4-6-18/h1-2,7,16H,3-6,8H2,(H,17,20)
InChIKeyQLGBHPHKHDWJSO-UHFFFAOYSA-N
XLogP1.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-iodo-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805894
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide
CID 107990091
3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708769
4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 63213553
3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61175305
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687673
4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61177799
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 119373866
3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103841455
4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687414

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 107990145) is 3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is O=C(NCC(=O)N1CCNCC1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is QLGBHPHKHDWJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O2/c14-10-7-9(1-2-11(10)15)13(20)17-8-12(19)18-5-3-16-4-6-18/h1-2,7,16H,3-6,8H2,(H,17,20).
What are the key properties of 3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 360.64 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 107990145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).