[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone

C18H15Cl2FN2O2 — CID 36505256

IUPAC[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H15Cl2FN2O2/c19-15-6-3-13(11-16(15)20)18(25)23-9-7-22(8-10-23)17(24)12-1-4-14(21)5-2-12/h1-6,11H,7-10H2
InChIKeyGXNMSSQFPGINLJ-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.73
Rot. Bonds2

About [4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone

[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 36505256) has the molecular formula C18H15Cl2FN2O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is [4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID36505256
Molecular FormulaC18H15Cl2FN2O2
Molecular Weight381.23 g/mol
Exact Mass380.05
IUPAC Name[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H15Cl2FN2O2/c19-15-6-3-13(11-16(15)20)18(25)23-9-7-22(8-10-23)17(24)12-1-4-14(21)5-2-12/h1-6,11H,7-10H2
InChIKeyGXNMSSQFPGINLJ-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-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
(3,4-dichlorophenyl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23879138
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46413225
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549642
(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
CID 32530613
(3,4-dichlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6939011
(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 39565886
(3,4-dichlorophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 17163669
[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808597

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 36505256) is [4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is GXNMSSQFPGINLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O2/c19-15-6-3-13(11-16(15)20)18(25)23-9-7-22(8-10-23)17(24)12-1-4-14(21)5-2-12/h1-6,11H,7-10H2.
What are the key properties of [4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-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-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 36505256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).