N-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide

C14H19BrClN3O — CID 65460584

IUPACN-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
SMILESCC1(C)CNCCN1CC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClN3O/c1-14(2)9-17-5-6-19(14)8-13(20)18-12-4-3-10(15)7-11(12)16/h3-4,7,17H,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeyXAIYWPKMVANOCS-UHFFFAOYSA-N
MW360.68 g/mol
LogP2.72
Rot. Bonds3

About N-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide

N-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide (PubChem CID 65460584) has the molecular formula C14H19BrClN3O and a molecular weight of 360.68 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
PubChem CID65460584
Molecular FormulaC14H19BrClN3O
Molecular Weight360.68 g/mol
Exact Mass359.04
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
SMILESCC1(C)CNCCN1CC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClN3O/c1-14(2)9-17-5-6-19(14)8-13(20)18-12-4-3-10(15)7-11(12)16/h3-4,7,17H,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeyXAIYWPKMVANOCS-UHFFFAOYSA-N
XLogP2.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107424546
2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 65460794
N-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
CID 65460986
N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide
CID 62908578
N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469594
2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide
CID 24564935
2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 36894666
N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197692
methyl 3-[[2-(2,2-dimethylpiperazin-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 65461000
2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 65462375
2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide
CID 65462191
N-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide
CID 166188233

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide (CID 65460584) is N-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide is CC1(C)CNCCN1CC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide?
The InChIKey is XAIYWPKMVANOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN3O/c1-14(2)9-17-5-6-19(14)8-13(20)18-12-4-3-10(15)7-11(12)16/h3-4,7,17H,5-6,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide?
N-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide has a molecular weight of 360.68 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 65460584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).