1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone

C19H19Cl2FN2O2 — CID 24763607

IUPAC1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone
SMILESO=C(COCc1ccccc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H19Cl2FN2O2/c20-15-5-6-18(16(21)11-15)23-7-9-24(10-8-23)19(25)13-26-12-14-3-1-2-4-17(14)22/h1-6,11H,7-10,12-13H2
InChIKeyBUZHVNQTMWRMTK-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.00
Rot. Bonds5

About 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone

1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone (PubChem CID 24763607) has the molecular formula C19H19Cl2FN2O2 and a molecular weight of 397.28 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone
PubChem CID24763607
Molecular FormulaC19H19Cl2FN2O2
Molecular Weight397.28 g/mol
Exact Mass396.08
IUPAC Name1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone
SMILESO=C(COCc1ccccc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H19Cl2FN2O2/c20-15-5-6-18(16(21)11-15)23-7-9-24(10-8-23)19(25)13-26-12-14-3-1-2-4-17(14)22/h1-6,11H,7-10,12-13H2
InChIKeyBUZHVNQTMWRMTK-UHFFFAOYSA-N
XLogP4.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2,4-difluorophenyl)methoxy]ethanone
CID 24763608
chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane
CID 143238120
1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid
CID 63934028
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498
3-(2,4-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029884
N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
CID 7328605
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113079899
1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 24763454
2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 2437970
1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113080214

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone?
The IUPAC name of 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone (CID 24763607) is 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone.
What is the SMILES notation for 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone?
The canonical SMILES for 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone is O=C(COCc1ccccc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone?
The InChIKey is BUZHVNQTMWRMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O2/c20-15-5-6-18(16(21)11-15)23-7-9-24(10-8-23)19(25)13-26-12-14-3-1-2-4-17(14)22/h1-6,11H,7-10,12-13H2.
What are the key properties of 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone?
1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone has a molecular weight of 397.28 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone is sourced from PubChem (CID 24763607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).