2-(2-acetyl-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

C20H20F2N2O3 — CID 2557592

IUPAC2-(2-acetyl-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESCC(=O)c1cc(F)ccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20F2N2O3/c1-14(25)18-12-16(22)4-7-19(18)27-13-20(26)24-10-8-23(9-11-24)17-5-2-15(21)3-6-17/h2-7,12H,8-11,13H2,1H3
InChIKeyZWQUWNQXDBQKIV-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.89
Rot. Bonds5

About 2-(2-acetyl-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

2-(2-acetyl-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 2557592) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-(2-acetyl-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-acetyl-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID2557592
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name2-(2-acetyl-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESCC(=O)c1cc(F)ccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20F2N2O3/c1-14(25)18-12-16(22)4-7-19(18)27-13-20(26)24-10-8-23(9-11-24)17-5-2-15(21)3-6-17/h2-7,12H,8-11,13H2,1H3
InChIKeyZWQUWNQXDBQKIV-UHFFFAOYSA-N
XLogP2.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CID 2557592) is 2-(2-acetyl-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-acetyl-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-acetyl-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is CC(=O)c1cc(F)ccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(2-acetyl-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is ZWQUWNQXDBQKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-14(25)18-12-16(22)4-7-19(18)27-13-20(26)24-10-8-23(9-11-24)17-5-2-15(21)3-6-17/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 2-(2-acetyl-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
2-(2-acetyl-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 374.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2557592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).