1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one

C19H17Cl2FN2O — CID 3291293

IUPAC1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(C=CN1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2FN2O/c20-14-1-6-17(18(21)13-14)19(25)7-8-23-9-11-24(12-10-23)16-4-2-15(22)3-5-16/h1-8,13H,9-12H2
InChIKeyQNKRSVCEMCQMOM-UHFFFAOYSA-N
MW379.26 g/mol
LogP4.65
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one

1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 3291293) has the molecular formula C19H17Cl2FN2O and a molecular weight of 379.26 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID3291293
Molecular FormulaC19H17Cl2FN2O
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC Name1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(C=CN1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2FN2O/c20-14-1-6-17(18(21)13-14)19(25)7-8-23-9-11-24(12-10-23)16-4-2-15(22)3-5-16/h1-8,13H,9-12H2
InChIKeyQNKRSVCEMCQMOM-UHFFFAOYSA-N
XLogP4.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 92903828
(E)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 1046805
(E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one
CID 6035639
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
(2,5-dichlorophenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 87029906
1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2280565
(E)-1-(2,4-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)prop-2-en-1-one
CID 6111341
(2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 100520261
(E)-1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 19562946
4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide
CID 4985902
2-(2,4-dichlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 2304004
1-(2,4-dichlorophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
CID 3396457

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one (CID 3291293) is 1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one is O=C(C=CN1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is QNKRSVCEMCQMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O/c20-14-1-6-17(18(21)13-14)19(25)7-8-23-9-11-24(12-10-23)16-4-2-15(22)3-5-16/h1-8,13H,9-12H2.
What are the key properties of 1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one?
1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 379.26 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 3291293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).