1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone

C19H17Cl2FN2O2 — CID 599707

IUPAC1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(F)c1
InChIInChI=1S/C19H17Cl2FN2O2/c1-12(25)13-2-5-18(17(22)10-13)23-6-8-24(9-7-23)19(26)15-4-3-14(20)11-16(15)21/h2-5,10-11H,6-9H2,1H3
InChIKeySDRWBAXEACXORH-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.30
Rot. Bonds3

About 1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone

1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone (PubChem CID 599707) has the molecular formula C19H17Cl2FN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is 1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone
PubChem CID599707
Molecular FormulaC19H17Cl2FN2O2
Molecular Weight395.26 g/mol
Exact Mass394.07
IUPAC Name1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(F)c1
InChIInChI=1S/C19H17Cl2FN2O2/c1-12(25)13-2-5-18(17(22)10-13)23-6-8-24(9-7-23)19(26)15-4-3-14(20)11-16(15)21/h2-5,10-11H,6-9H2,1H3
InChIKeySDRWBAXEACXORH-UHFFFAOYSA-N
XLogP4.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
1-[3-fluoro-4-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 112813678
1-[4-[4-(2-chloro-4,5-difluorobenzoyl)piperazin-1-yl]-3-fluorophenyl]propan-1-one
CID 1282871
1-[4-[4-(1,5-dimethylpyrrole-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 31668550
4-acetyl-3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]benzonitrile
CID 133456096
1-[3-fluoro-4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 18098126
4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 51250482
1-[3-fluoro-4-[4-(5-methylsulfanyl-2-nitrobenzoyl)piperazin-1-yl]phenyl]ethanone
CID 27035720
1-[3-fluoro-4-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 17400897
1-[4-[4-(3-aminobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone;dihydrochloride
CID 119836988
1-[4-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 24552330
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 18120082

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone?
The IUPAC name of 1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone (CID 599707) is 1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(F)c1.
What is the InChIKey of 1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone?
The InChIKey is SDRWBAXEACXORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O2/c1-12(25)13-2-5-18(17(22)10-13)23-6-8-24(9-7-23)19(26)15-4-3-14(20)11-16(15)21/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone?
1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone has a molecular weight of 395.26 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone is sourced from PubChem (CID 599707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).