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

C17H15Cl2FN2O — CID 1332392

IUPAC(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H15Cl2FN2O/c18-12-5-6-13(14(19)11-12)17(23)22-9-7-21(8-10-22)16-4-2-1-3-15(16)20/h1-6,11H,7-10H2
InChIKeyWNFOPPAWBFNRDW-UHFFFAOYSA-N
MW353.22 g/mol
LogP4.09
Rot. Bonds2

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

(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 1332392) has the molecular formula C17H15Cl2FN2O and a molecular weight of 353.22 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID1332392
Molecular FormulaC17H15Cl2FN2O
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H15Cl2FN2O/c18-12-5-6-13(14(19)11-12)17(23)22-9-7-21(8-10-22)16-4-2-1-3-15(16)20/h1-6,11H,7-10H2
InChIKeyWNFOPPAWBFNRDW-UHFFFAOYSA-N
XLogP4.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 599707
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 60510749
2,4-dichloro-N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24665615
2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 41337381
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748
[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 55660753
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2530553
1-(2,4-dichlorophenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile
CID 42749029

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 1332392) is (2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is WNFOPPAWBFNRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O/c18-12-5-6-13(14(19)11-12)17(23)22-9-7-21(8-10-22)16-4-2-1-3-15(16)20/h1-6,11H,7-10H2.
What are the key properties of (2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 353.22 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1332392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).