2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide

C20H23Cl2N3O — CID 22198769

IUPAC2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(C)c1
InChIInChI=1S/C20H23Cl2N3O/c1-14-3-6-19(15(2)11-14)23-20(26)13-24-7-9-25(10-8-24)16-4-5-17(21)18(22)12-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)
InChIKeyNDTJGLNCQMZMQW-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.37
Rot. Bonds4

About 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide

2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 22198769) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID22198769
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC Name2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(C)c1
InChIInChI=1S/C20H23Cl2N3O/c1-14-3-6-19(15(2)11-14)23-20(26)13-24-7-9-25(10-8-24)16-4-5-17(21)18(22)12-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)
InChIKeyNDTJGLNCQMZMQW-UHFFFAOYSA-N
XLogP4.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688693
2-[4,7-bis(carboxymethyl)-10-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 58121003
N-(4-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704214
N-(4-fluoro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 50875792
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570264
2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 30863495
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 9391486
N-(5-chloro-2-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731945
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34733225
N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78897256
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 22198476
N-(2-fluoro-4-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691168

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide (CID 22198769) is 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(C)c1.
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is NDTJGLNCQMZMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c1-14-3-6-19(15(2)11-14)23-20(26)13-24-7-9-25(10-8-24)16-4-5-17(21)18(22)12-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide?
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 392.33 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 22198769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).