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

C18H18ClFN2O2 — CID 977705

IUPAC2-(2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1Cl)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H18ClFN2O2/c19-14-5-1-4-8-17(14)24-13-18(23)22-11-9-21(10-12-22)16-7-3-2-6-15(16)20/h1-8H,9-13H2
InChIKeyAATVVKWVWHBLIV-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.21
Rot. Bonds4

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

2-(2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 977705) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID977705
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name2-(2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1Cl)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H18ClFN2O2/c19-14-5-1-4-8-17(14)24-13-18(23)22-11-9-21(10-12-22)16-7-3-2-6-15(16)20/h1-8H,9-13H2
InChIKeyAATVVKWVWHBLIV-UHFFFAOYSA-N
XLogP3.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 977705) is 2-(2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is O=C(COc1ccccc1Cl)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is AATVVKWVWHBLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-14-5-1-4-8-17(14)24-13-18(23)22-11-9-21(10-12-22)16-7-3-2-6-15(16)20/h1-8H,9-13H2.
What are the key properties of 2-(2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
2-(2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 348.81 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 977705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).