chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane

C22H29Cl3N2O2 — CID 143238120

IUPACchlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane
SMILESCC.CCOCC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1.Clc1ccccc1
InChIInChI=1S/C14H18Cl2N2O2.C6H5Cl.C2H6/c1-2-20-10-14(19)18-7-5-17(6-8-18)13-4-3-11(15)9-12(13)16;7-6-4-2-1-3-5-6;1-2/h3-4,9H,2,5-8,10H2,1H3;1-5H;1-2H3
InChIKeyAEHNUCRGFVBLJT-UHFFFAOYSA-N
MW459.85 g/mol
LogP6.04
Rot. Bonds4

About chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane

chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane (PubChem CID 143238120) has the molecular formula C22H29Cl3N2O2 and a molecular weight of 459.85 g/mol. Its IUPAC name is chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane.

Molecular Properties

Compound Namechlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane
PubChem CID143238120
Molecular FormulaC22H29Cl3N2O2
Molecular Weight459.85 g/mol
Exact Mass458.13
IUPAC Namechlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane
SMILESCC.CCOCC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1.Clc1ccccc1
InChIInChI=1S/C14H18Cl2N2O2.C6H5Cl.C2H6/c1-2-20-10-14(19)18-7-5-17(6-8-18)13-4-3-11(15)9-12(13)16;7-6-4-2-1-3-5-6;1-2/h3-4,9H,2,5-8,10H2,1H3;1-5H;1-2H3
InChIKeyAEHNUCRGFVBLJT-UHFFFAOYSA-N
XLogP6.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.85
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone
CID 24763607
1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2,4-difluorophenyl)methoxy]ethanone
CID 24763608
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113080214
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 108570061
1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 24763454
2-(2,4-dichlorophenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 1292697
2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 2437970
2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
CID 60662805
N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
CID 7328605
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 9348298
2-ethoxy-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
CID 9496780

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane?
The IUPAC name of chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane (CID 143238120) is chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane.
What is the SMILES notation for chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane?
The canonical SMILES for chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane is CC.CCOCC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1.Clc1ccccc1.
What is the InChIKey of chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane?
The InChIKey is AEHNUCRGFVBLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2.C6H5Cl.C2H6/c1-2-20-10-14(19)18-7-5-17(6-8-18)13-4-3-11(15)9-12(13)16;7-6-4-2-1-3-5-6;1-2/h3-4,9H,2,5-8,10H2,1H3;1-5H;1-2H3.
What are the key properties of chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane?
chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane has a molecular weight of 459.85 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane is sourced from PubChem (CID 143238120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).