N-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide

C18H17BrClN3O2 — CID 108531790

IUPACN-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccccc1Br)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H17BrClN3O2/c19-15-6-1-2-7-16(15)21-17(24)18(25)23-10-8-22(9-11-23)14-5-3-4-13(20)12-14/h1-7,12H,8-11H2,(H,21,24)
InChIKeyIUDPMHVXDITSKL-UHFFFAOYSA-N
MW422.71 g/mol
LogP3.39
Rot. Bonds2

About N-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide

N-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108531790) has the molecular formula C18H17BrClN3O2 and a molecular weight of 422.71 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108531790
Molecular FormulaC18H17BrClN3O2
Molecular Weight422.71 g/mol
Exact Mass421.02
IUPAC NameN-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccccc1Br)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H17BrClN3O2/c19-15-6-1-2-7-16(15)21-17(24)18(25)23-10-8-22(9-11-23)14-5-3-4-13(20)12-14/h1-7,12H,8-11H2,(H,21,24)
InChIKeyIUDPMHVXDITSKL-UHFFFAOYSA-N
XLogP3.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.71
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butan-2-ylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531813
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide
CID 44902269
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
N-(2-hydroxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514363
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 44901895
N-(4-amino-3-chlorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108516233
N-(2-hydroxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108514381
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531797
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108530906
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide (CID 108531790) is N-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide is O=C(Nc1ccccc1Br)C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is IUDPMHVXDITSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClN3O2/c19-15-6-1-2-7-16(15)21-17(24)18(25)23-10-8-22(9-11-23)14-5-3-4-13(20)12-14/h1-7,12H,8-11H2,(H,21,24).
What are the key properties of N-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide?
N-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 422.71 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108531790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).