N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide

C12H13BrClN3O2 — CID 107614812

IUPACN-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CCNCC1
InChIInChI=1S/C12H13BrClN3O2/c13-9-2-1-8(7-10(9)14)16-11(18)12(19)17-5-3-15-4-6-17/h1-2,7,15H,3-6H2,(H,16,18)
InChIKeyLZBSZEFSRAVVEN-UHFFFAOYSA-N
MW346.61 g/mol
LogP1.47
Rot. Bonds1

About N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide

N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 107614812) has the molecular formula C12H13BrClN3O2 and a molecular weight of 346.61 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
PubChem CID107614812
Molecular FormulaC12H13BrClN3O2
Molecular Weight346.61 g/mol
Exact Mass344.99
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CCNCC1
InChIInChI=1S/C12H13BrClN3O2/c13-9-2-1-8(7-10(9)14)16-11(18)12(19)17-5-3-15-4-6-17/h1-2,7,15H,3-6H2,(H,16,18)
InChIKeyLZBSZEFSRAVVEN-UHFFFAOYSA-N
XLogP1.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide 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

N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507441
N-(3,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 23555753
N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 61468238
N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide
CID 115378763
N-(4-bromo-3-chlorophenyl)-2-hydrazinyl-2-oxoacetamide
CID 107615247
N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 43381036
2-(1,4-diazepan-1-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 43327555
N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide
CID 82094622
2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide
CID 43327510
N-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 43145018
N-(2-bromo-6-chloro-4-fluorophenyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 107614809
N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107620276

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide (CID 107614812) is N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide is O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CCNCC1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is LZBSZEFSRAVVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3O2/c13-9-2-1-8(7-10(9)14)16-11(18)12(19)17-5-3-15-4-6-17/h1-2,7,15H,3-6H2,(H,16,18).
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide?
N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 346.61 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 107614812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).