2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide

C14H17BrClN3O2 — CID 24564935

IUPAC2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C14H17BrClN3O2/c1-10(20)19-6-4-18(5-7-19)9-14(21)17-13-3-2-11(15)8-12(13)16/h2-3,8H,4-7,9H2,1H3,(H,17,21)
InChIKeyJWMXMWOKEOVKLY-UHFFFAOYSA-N
MW374.67 g/mol
LogP2.21
Rot. Bonds3

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

2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide (PubChem CID 24564935) has the molecular formula C14H17BrClN3O2 and a molecular weight of 374.67 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide
PubChem CID24564935
Molecular FormulaC14H17BrClN3O2
Molecular Weight374.67 g/mol
Exact Mass373.02
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C14H17BrClN3O2/c1-10(20)19-6-4-18(5-7-19)9-14(21)17-13-3-2-11(15)8-12(13)16/h2-3,8H,4-7,9H2,1H3,(H,17,21)
InChIKeyJWMXMWOKEOVKLY-UHFFFAOYSA-N
XLogP2.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469594
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
N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide
CID 55847694
N-(4-bromo-2-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469671
methyl 4-[2-(2,4-dichloroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 78900235
N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 86928272
N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086253
N-(2,4-dichlorophenyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 78899895
N-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide
CID 166188233
2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide
CID 16788488
N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide
CID 62908578

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide (CID 24564935) is 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide is CC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide?
The InChIKey is JWMXMWOKEOVKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3O2/c1-10(20)19-6-4-18(5-7-19)9-14(21)17-13-3-2-11(15)8-12(13)16/h2-3,8H,4-7,9H2,1H3,(H,17,21).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide?
2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide has a molecular weight of 374.67 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide is sourced from PubChem (CID 24564935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).