4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2,4-difluorophenyl)piperazin-2-one

C18H12ClF5N2O2 — CID 25241867

IUPAC4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2,4-difluorophenyl)piperazin-2-one
SMILESO=C(c1cccc(C(F)(F)F)c1Cl)N1CCN(c2ccc(F)cc2F)C(=O)C1
InChIInChI=1S/C18H12ClF5N2O2/c19-16-11(2-1-3-12(16)18(22,23)24)17(28)25-6-7-26(15(27)9-25)14-5-4-10(20)8-13(14)21/h1-5,8H,6-7,9H2
InChIKeyVNEYCAAUOFFQMB-UHFFFAOYSA-N
MW418.75 g/mol
LogP4.13
Rot. Bonds2

About 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2,4-difluorophenyl)piperazin-2-one

4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2,4-difluorophenyl)piperazin-2-one (PubChem CID 25241867) has the molecular formula C18H12ClF5N2O2 and a molecular weight of 418.75 g/mol. Its IUPAC name is 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2,4-difluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2,4-difluorophenyl)piperazin-2-one
PubChem CID25241867
Molecular FormulaC18H12ClF5N2O2
Molecular Weight418.75 g/mol
Exact Mass418.05
IUPAC Name4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2,4-difluorophenyl)piperazin-2-one
SMILESO=C(c1cccc(C(F)(F)F)c1Cl)N1CCN(c2ccc(F)cc2F)C(=O)C1
InChIInChI=1S/C18H12ClF5N2O2/c19-16-11(2-1-3-12(16)18(22,23)24)17(28)25-6-7-26(15(27)9-25)14-5-4-10(20)8-13(14)21/h1-5,8H,6-7,9H2
InChIKeyVNEYCAAUOFFQMB-UHFFFAOYSA-N
XLogP4.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.75
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Chloro-5-nitrophenyl)[4-(4-fluorophenyl)-1-piperazinyl]methanone
CID 1104888
4-(3-Chlorophenyl)piperazinyl 3-methylphenyl ketone
CID 4006554
Methanone, (4-chlorophenyl)[4-(4-fluorophenyl)-1-piperazinyl]-
CID 720118
1-(3-Chlorophenyl)-4-(4-fluorobenzoyl)piperazine
CID 681767
(2-Chloro-4,5-difluoro-phenyl)-(3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 790863
(2,3,4,5,6-Pentafluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2932644
N-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-4-fluorobenzamide
CID 42266988
N-[4-(5-carbamoyl-2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide
CID 122182884
[4-[(2-Anilinoethylamino)methyl]-4-fluoropiperidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 138692456
4-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroquinoxalin-2-one
CID 3159803
Piperazine, 1-(3-chlorophenyl)-4-(2,4-dichlorobenzoyl)-
CID 597263
[4-(3-Chlorophenyl)piperazin-1-yl](2-fluorophenyl)methanone
CID 739897

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2,4-difluorophenyl)piperazin-2-one?
The IUPAC name of 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2,4-difluorophenyl)piperazin-2-one (CID 25241867) is 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2,4-difluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2,4-difluorophenyl)piperazin-2-one?
The canonical SMILES for 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2,4-difluorophenyl)piperazin-2-one is O=C(c1cccc(C(F)(F)F)c1Cl)N1CCN(c2ccc(F)cc2F)C(=O)C1.
What is the InChIKey of 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2,4-difluorophenyl)piperazin-2-one?
The InChIKey is VNEYCAAUOFFQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF5N2O2/c19-16-11(2-1-3-12(16)18(22,23)24)17(28)25-6-7-26(15(27)9-25)14-5-4-10(20)8-13(14)21/h1-5,8H,6-7,9H2.
What are the key properties of 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2,4-difluorophenyl)piperazin-2-one?
4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2,4-difluorophenyl)piperazin-2-one has a molecular weight of 418.75 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2,4-difluorophenyl)piperazin-2-one is sourced from PubChem (CID 25241867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).