2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide

C13H18Cl2N3O+ — CID 9204698

IUPAC2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide
SMILESC[NH+]1CCN(NC(=O)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H17Cl2N3O/c1-17-4-6-18(7-5-17)16-13(19)8-10-2-3-11(14)9-12(10)15/h2-3,9H,4-8H2,1H3,(H,16,19)/p+1
InChIKeyXKJFDOAYDALPDX-UHFFFAOYSA-O
MW303.21 g/mol
LogP0.40
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide

2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide (PubChem CID 9204698) has the molecular formula C13H18Cl2N3O+ and a molecular weight of 303.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide
PubChem CID9204698
Molecular FormulaC13H18Cl2N3O+
Molecular Weight303.21 g/mol
Exact Mass302.08
IUPAC Name2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide
SMILESC[NH+]1CCN(NC(=O)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H17Cl2N3O/c1-17-4-6-18(7-5-17)16-13(19)8-10-2-3-11(14)9-12(10)15/h2-3,9H,4-8H2,1H3,(H,16,19)/p+1
InChIKeyXKJFDOAYDALPDX-UHFFFAOYSA-O
XLogP0.40
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide
CID 7027118
2-(2,4-dichlorophenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 27802772
1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea
CID 7470131
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 62675142
2-(azepan-1-ium-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 8896107
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 30857739
2-(2,4-dichlorophenyl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 46469925
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
(2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 114006523
2-(2,4-dichlorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43418876

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide (CID 9204698) is 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide is C[NH+]1CCN(NC(=O)Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide?
The InChIKey is XKJFDOAYDALPDX-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H17Cl2N3O/c1-17-4-6-18(7-5-17)16-13(19)8-10-2-3-11(14)9-12(10)15/h2-3,9H,4-8H2,1H3,(H,16,19)/p+1.
What are the key properties of 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide?
2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide has a molecular weight of 303.21 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide is sourced from PubChem (CID 9204698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).