2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C19H19BrClFN2O2 — CID 46634903

IUPAC2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19BrClFN2O2/c1-13(26-18-7-2-14(21)12-17(18)20)19(25)24-10-8-23(9-11-24)16-5-3-15(22)4-6-16/h2-7,12-13H,8-11H2,1H3
InChIKeyUZNBERFTOIQDTI-UHFFFAOYSA-N
MW441.73 g/mol
LogP4.36
Rot. Bonds4

About 2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 46634903) has the molecular formula C19H19BrClFN2O2 and a molecular weight of 441.73 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID46634903
Molecular FormulaC19H19BrClFN2O2
Molecular Weight441.73 g/mol
Exact Mass440.03
IUPAC Name2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19BrClFN2O2/c1-13(26-18-7-2-14(21)12-17(18)20)19(25)24-10-8-23(9-11-24)16-5-3-15(22)4-6-16/h2-7,12-13H,8-11H2,1H3
InChIKeyUZNBERFTOIQDTI-UHFFFAOYSA-N
XLogP4.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.73
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 1290925
2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 56570407
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17193924
1-(azepan-1-yl)-2-(2-bromo-4-fluorophenoxy)propan-1-one
CID 43086571
2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 3393677
(2S)-2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 1220793
(2R)-2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 1220794
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 3321756
1-(4-benzhydrylpiperazin-1-yl)-2-(2-bromo-4-chlorophenoxy)propan-1-one
CID 4981432
2-(2-bromo-4-chlorophenoxy)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 60550124
(2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 93487258
2-(2-bromo-4-chlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one
CID 108765693

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 46634903) is 2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is CC(Oc1ccc(Cl)cc1Br)C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is UZNBERFTOIQDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClFN2O2/c1-13(26-18-7-2-14(21)12-17(18)20)19(25)24-10-8-23(9-11-24)16-5-3-15(22)4-6-16/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 441.73 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 46634903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).