2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone

C24H19Cl4FN2O — CID 59261898

IUPAC2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1F)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H19Cl4FN2O/c25-17-6-4-15(5-7-17)22-14-30(23(32)12-16-2-1-3-19(27)24(16)29)10-11-31(22)21-9-8-18(26)13-20(21)28/h1-9,13,22H,10-12,14H2
InChIKeyAGEZBWNYLBJXJG-UHFFFAOYSA-N
MW512.24 g/mol
LogP7.07
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone

2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone (PubChem CID 59261898) has the molecular formula C24H19Cl4FN2O and a molecular weight of 512.24 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone
PubChem CID59261898
Molecular FormulaC24H19Cl4FN2O
Molecular Weight512.24 g/mol
Exact Mass510.02
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1F)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H19Cl4FN2O/c25-17-6-4-15(5-7-17)22-14-30(23(32)12-16-2-1-3-19(27)24(16)29)10-11-31(22)21-9-8-18(26)13-20(21)28/h1-9,13,22H,10-12,14H2
InChIKeyAGEZBWNYLBJXJG-UHFFFAOYSA-N
XLogP7.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.24
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[2-(trifluoromethylsulfanyl)phenyl]ethanone
CID 59262054
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 59261689
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 59261795
2-(3-chloro-4-hydroxyphenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone
CID 59261888
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 59261643
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]ethanone
CID 59261653
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]phenyl]ethanone
CID 143238032
1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 88860137
(2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 59261834
1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 59261899
(2S)-2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]butan-1-one
CID 143237811
1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 143237547

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone (CID 59261898) is 2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone is O=C(Cc1cccc(Cl)c1F)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone?
The InChIKey is AGEZBWNYLBJXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl4FN2O/c25-17-6-4-15(5-7-17)22-14-30(23(32)12-16-2-1-3-19(27)24(16)29)10-11-31(22)21-9-8-18(26)13-20(21)28/h1-9,13,22H,10-12,14H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone?
2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone has a molecular weight of 512.24 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 59261898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).