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

C19H18Cl2F2N2O2 — CID 24763608

IUPAC1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2,4-difluorophenyl)methoxy]ethanone
SMILESO=C(COCc1ccc(F)cc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H18Cl2F2N2O2/c20-14-2-4-18(16(21)9-14)24-5-7-25(8-6-24)19(26)12-27-11-13-1-3-15(22)10-17(13)23/h1-4,9-10H,5-8,11-12H2
InChIKeyPORZZYJEIAFOOQ-UHFFFAOYSA-N
MW415.27 g/mol
LogP4.14
Rot. Bonds5

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

1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2,4-difluorophenyl)methoxy]ethanone (PubChem CID 24763608) has the molecular formula C19H18Cl2F2N2O2 and a molecular weight of 415.27 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2,4-difluorophenyl)methoxy]ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2,4-difluorophenyl)methoxy]ethanone
PubChem CID24763608
Molecular FormulaC19H18Cl2F2N2O2
Molecular Weight415.27 g/mol
Exact Mass414.07
IUPAC Name1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2,4-difluorophenyl)methoxy]ethanone
SMILESO=C(COCc1ccc(F)cc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H18Cl2F2N2O2/c20-14-2-4-18(16(21)9-14)24-5-7-25(8-6-24)19(26)12-27-11-13-1-3-15(22)10-17(13)23/h1-4,9-10H,5-8,11-12H2
InChIKeyPORZZYJEIAFOOQ-UHFFFAOYSA-N
XLogP4.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.27
LogP ≤ 54.14
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
chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane
CID 143238120
2-(2,4-dichlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 2304004
1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 24763454
2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498
1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113080214
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113079899
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2,5-difluorobenzoate
CID 46925039
1-[4-(2,4-difluorophenyl)piperazin-1-yl]butan-1-one
CID 113079847
2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 2437970
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113076805

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2,4-difluorophenyl)methoxy]ethanone?
The IUPAC name of 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2,4-difluorophenyl)methoxy]ethanone (CID 24763608) is 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2,4-difluorophenyl)methoxy]ethanone.
What is the SMILES notation for 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2,4-difluorophenyl)methoxy]ethanone?
The canonical SMILES for 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2,4-difluorophenyl)methoxy]ethanone is O=C(COCc1ccc(F)cc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2,4-difluorophenyl)methoxy]ethanone?
The InChIKey is PORZZYJEIAFOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F2N2O2/c20-14-2-4-18(16(21)9-14)24-5-7-25(8-6-24)19(26)12-27-11-13-1-3-15(22)10-17(13)23/h1-4,9-10H,5-8,11-12H2.
What are the key properties of 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2,4-difluorophenyl)methoxy]ethanone?
1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2,4-difluorophenyl)methoxy]ethanone has a molecular weight of 415.27 g/mol, XLogP of 4.14, 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-[(2,4-difluorophenyl)methoxy]ethanone is sourced from PubChem (CID 24763608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).