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

C24H20Cl4N2O2 — CID 59261888

IUPAC2-(3-chloro-4-hydroxyphenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(O)c(Cl)c1)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H20Cl4N2O2/c25-17-4-2-16(3-5-17)22-14-29(24(32)12-15-1-8-23(31)20(28)11-15)9-10-30(22)21-7-6-18(26)13-19(21)27/h1-8,11,13,22,31H,9-10,12,14H2
InChIKeyIJSZMKZDBRGXAK-UHFFFAOYSA-N
MW510.25 g/mol
LogP6.64
Rot. Bonds4

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

2-(3-chloro-4-hydroxyphenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone (PubChem CID 59261888) has the molecular formula C24H20Cl4N2O2 and a molecular weight of 510.25 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone
PubChem CID59261888
Molecular FormulaC24H20Cl4N2O2
Molecular Weight510.25 g/mol
Exact Mass508.03
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(O)c(Cl)c1)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H20Cl4N2O2/c25-17-4-2-16(3-5-17)22-14-29(24(32)12-15-1-8-23(31)20(28)11-15)9-10-30(22)21-7-6-18(26)13-19(21)27/h1-8,11,13,22,31H,9-10,12,14H2
InChIKeyIJSZMKZDBRGXAK-UHFFFAOYSA-N
XLogP6.64
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.25
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
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-[3-(trifluoromethoxy)phenyl]ethanone
CID 59261643
2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone
CID 59261898
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[2-(trifluoromethylsulfanyl)phenyl]ethanone
CID 59262054
(E)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-3-thiophen-3-ylprop-2-en-1-one
CID 59261953
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-(2-hydroxynaphthalen-1-yl)ethanone
CID 59261978
(2S)-2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]butan-1-one
CID 143237811
1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 59261899
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
(2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 59261834

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone (CID 59261888) is 2-(3-chloro-4-hydroxyphenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone is O=C(Cc1ccc(O)c(Cl)c1)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone?
The InChIKey is IJSZMKZDBRGXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl4N2O2/c25-17-4-2-16(3-5-17)22-14-29(24(32)12-15-1-8-23(31)20(28)11-15)9-10-30(22)21-7-6-18(26)13-19(21)27/h1-8,11,13,22,31H,9-10,12,14H2.
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone?
2-(3-chloro-4-hydroxyphenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone has a molecular weight of 510.25 g/mol, XLogP of 6.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 59261888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).