2-(3-chlorophenyl)-1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]ethanone

C25H24ClFN2O — CID 134801478

IUPAC2-(3-chlorophenyl)-1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCN(Cc2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C25H24ClFN2O/c26-21-8-5-6-19(16-21)17-25(30)29-14-12-28(13-15-29)18-20-7-1-2-9-22(20)23-10-3-4-11-24(23)27/h1-11,16H,12-15,17-18H2
InChIKeyUDDUMPUYOKZJSZ-UHFFFAOYSA-N
MW422.93 g/mol
LogP5.03
Rot. Bonds5

About 2-(3-chlorophenyl)-1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]ethanone

2-(3-chlorophenyl)-1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]ethanone (PubChem CID 134801478) has the molecular formula C25H24ClFN2O and a molecular weight of 422.93 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]ethanone
PubChem CID134801478
Molecular FormulaC25H24ClFN2O
Molecular Weight422.93 g/mol
Exact Mass422.16
IUPAC Name2-(3-chlorophenyl)-1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCN(Cc2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C25H24ClFN2O/c26-21-8-5-6-19(16-21)17-25(30)29-14-12-28(13-15-29)18-20-7-1-2-9-22(20)23-10-3-4-11-24(23)27/h1-11,16H,12-15,17-18H2
InChIKeyUDDUMPUYOKZJSZ-UHFFFAOYSA-N
XLogP5.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.93
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]ethanone (CID 134801478) is 2-(3-chlorophenyl)-1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]ethanone is O=C(Cc1cccc(Cl)c1)N1CCN(Cc2ccccc2-c2ccccc2F)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is UDDUMPUYOKZJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN2O/c26-21-8-5-6-19(16-21)17-25(30)29-14-12-28(13-15-29)18-20-7-1-2-9-22(20)23-10-3-4-11-24(23)27/h1-11,16H,12-15,17-18H2.
What are the key properties of 2-(3-chlorophenyl)-1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 422.93 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 134801478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).