2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone

C18H17BrClFN2O2 — CID 26365760

IUPAC2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Br)cc1F)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H17BrClFN2O2/c19-13-4-5-17(16(21)10-13)25-12-18(24)23-8-6-22(7-9-23)15-3-1-2-14(20)11-15/h1-5,10-11H,6-9,12H2
InChIKeyWZEOEYGAPFFZBX-UHFFFAOYSA-N
MW427.70 g/mol
LogP3.97
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone

2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone (PubChem CID 26365760) has the molecular formula C18H17BrClFN2O2 and a molecular weight of 427.70 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
PubChem CID26365760
Molecular FormulaC18H17BrClFN2O2
Molecular Weight427.70 g/mol
Exact Mass426.01
IUPAC Name2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Br)cc1F)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H17BrClFN2O2/c19-13-4-5-17(16(21)10-13)25-12-18(24)23-8-6-22(7-9-23)15-3-1-2-14(20)11-15/h1-5,10-11H,6-9,12H2
InChIKeyWZEOEYGAPFFZBX-UHFFFAOYSA-N
XLogP3.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.70
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 31564856
1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone
CID 78799892
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 17193886
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17193919
2-(4-chloro-2-methylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 18120423
2-(4-bromo-2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 1233602
2-(4-bromo-2-fluorophenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 17498992
2-(2,4-dichlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 2304004
2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5229734
2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110756055
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 71848285
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone
CID 60610058

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone (CID 26365760) is 2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone is O=C(COc1ccc(Br)cc1F)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone?
The InChIKey is WZEOEYGAPFFZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClFN2O2/c19-13-4-5-17(16(21)10-13)25-12-18(24)23-8-6-22(7-9-23)15-3-1-2-14(20)11-15/h1-5,10-11H,6-9,12H2.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone?
2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone has a molecular weight of 427.70 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 26365760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).