[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone

C18H14Cl3FN2O2 — CID 108536557

IUPAC[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H14Cl3FN2O2/c19-11-4-5-13(20)12(10-11)17(25)23-6-8-24(9-7-23)18(26)16-14(21)2-1-3-15(16)22/h1-5,10H,6-9H2
InChIKeyHPPXXJAULIWHRP-UHFFFAOYSA-N
MW415.68 g/mol
LogP4.38
Rot. Bonds2

About [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone

[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone (PubChem CID 108536557) has the molecular formula C18H14Cl3FN2O2 and a molecular weight of 415.68 g/mol. Its IUPAC name is [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
PubChem CID108536557
Molecular FormulaC18H14Cl3FN2O2
Molecular Weight415.68 g/mol
Exact Mass414.01
IUPAC Name[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H14Cl3FN2O2/c19-11-4-5-13(20)12(10-11)17(25)23-6-8-24(9-7-23)18(26)16-14(21)2-1-3-15(16)22/h1-5,10H,6-9H2
InChIKeyHPPXXJAULIWHRP-UHFFFAOYSA-N
XLogP4.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.68
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-chloro-6-fluorobenzoyl)-1,4-diazepan-1-yl]-(2,5-dichlorophenyl)methanone
CID 108547426
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108536978
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
(2-chloro-6-fluorophenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 36944785
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 108537079
(4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone
CID 113074834
(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 139023381
(2-chloro-6-fluorophenyl)-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38167847
2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119307920
(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707486
(2-chloro-6-fluorophenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
CID 113075723
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119307921

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone?
The IUPAC name of [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone (CID 108536557) is [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone?
The canonical SMILES for [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone is O=C(c1cc(Cl)ccc1Cl)N1CCN(C(=O)c2c(F)cccc2Cl)CC1.
What is the InChIKey of [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone?
The InChIKey is HPPXXJAULIWHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl3FN2O2/c19-11-4-5-13(20)12(10-11)17(25)23-6-8-24(9-7-23)18(26)16-14(21)2-1-3-15(16)22/h1-5,10H,6-9H2.
What are the key properties of [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone?
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone has a molecular weight of 415.68 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 108536557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).