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

C19H20ClFN2O2 — CID 2165600

IUPAC2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESCc1cc(Cl)ccc1OCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H20ClFN2O2/c1-14-12-15(20)6-7-18(14)25-13-19(24)23-10-8-22(9-11-23)17-5-3-2-4-16(17)21/h2-7,12H,8-11,13H2,1H3
InChIKeyAQOFKUNFUCJWSG-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.52
Rot. Bonds4

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

2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 2165600) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID2165600
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESCc1cc(Cl)ccc1OCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H20ClFN2O2/c1-14-12-15(20)6-7-18(14)25-13-19(24)23-10-8-22(9-11-23)17-5-3-2-4-16(17)21/h2-7,12H,8-11,13H2,1H3
InChIKeyAQOFKUNFUCJWSG-UHFFFAOYSA-N
XLogP3.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 2165600) is 2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is Cc1cc(Cl)ccc1OCC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is AQOFKUNFUCJWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-14-12-15(20)6-7-18(14)25-13-19(24)23-10-8-22(9-11-23)17-5-3-2-4-16(17)21/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 362.83 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2165600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).