[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone

C18H15Cl2FN2O2 — CID 108533710

IUPAC[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H15Cl2FN2O2/c19-12-5-6-15(20)14(11-12)18(25)23-9-7-22(8-10-23)17(24)13-3-1-2-4-16(13)21/h1-6,11H,7-10H2
InChIKeyGYGGVGOPIOMYNH-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.73
Rot. Bonds2

About [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone

[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 108533710) has the molecular formula C18H15Cl2FN2O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID108533710
Molecular FormulaC18H15Cl2FN2O2
Molecular Weight381.23 g/mol
Exact Mass380.05
IUPAC Name[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H15Cl2FN2O2/c19-12-5-6-15(20)14(11-12)18(25)23-9-7-22(8-10-23)17(24)13-3-1-2-4-16(13)21/h1-6,11H,7-10H2
InChIKeyGYGGVGOPIOMYNH-UHFFFAOYSA-N
XLogP3.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850151
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 108536557
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
[4-(2-chloro-6-fluorobenzoyl)-1,4-diazepan-1-yl]-(2,5-dichlorophenyl)methanone
CID 108547426
[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-(2-sulfanylphenyl)methanone
CID 108547390
(3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 33463726
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615888
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
4-(2-fluorobenzoyl)piperazine-1-carbohydrazide
CID 82304393
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone (CID 108533710) is [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is GYGGVGOPIOMYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O2/c19-12-5-6-15(20)14(11-12)18(25)23-9-7-22(8-10-23)17(24)13-3-1-2-4-16(13)21/h1-6,11H,7-10H2.
What are the key properties of [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 381.23 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 108533710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).