1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone

C121H110Cl8F4N8O7 — CID 160808011

IUPAC1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone
SMILESCOc1ccc(-c2ccc(CC(=O)N3CCN(c4ccc(C)cc4Cl)C(c4ccc(Cl)cc4)C3)cc2)cc1.COc1cccc(-c2ccc(CC(=O)N3CCN(c4ccc(C)cc4Cl)C(c4ccc(Cl)cc4)C3)cc2)c1.Cc1ccc(N2CCN(C(=O)Cc3cc(F)cc(C(F)(F)F)c3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)Cc3ccc(Oc4ccccc4)cc3)CC2c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/2C32H30Cl2N2O2.C31H28Cl2N2O2.C26H22Cl2F4N2O/c1-22-3-16-30(29(34)19-22)36-18-17-35(21-31(36)26-8-12-27(33)13-9-26)32(37)20-23-4-6-24(7-5-23)25-10-14-28(38-2)15-11-25;1-22-6-15-30(29(34)18-22)36-17-16-35(21-31(36)25-11-13-27(33)14-12-25)32(37)19-23-7-9-24(10-8-23)26-4-3-5-28(20-26)38-2;1-22-7-16-29(28(33)19-22)35-18-17-34(21-30(35)24-10-12-25(32)13-11-24)31(36)20-23-8-14-27(15-9-23)37-26-5-3-2-4-6-26;1-16-2-7-23(22(28)10-16)34-9-8-33(15-24(34)18-3-5-20(27)6-4-18)25(35)13-17-11-19(26(30,31)32)14-21(29)12-17/h3-16,19,31H,17-18,20-21H2,1-2H3;3-15,18,20,31H,16-17,19,21H2,1-2H3;2-16,19,30H,17-18,20-21H2,1H3;2-7,10-12,14,24H,8-9,13,15H2,1H3
InChIKeySDYHYQRKXAVUSV-UHFFFAOYSA-N
MW2147.88 g/mol
LogP30.04
Rot. Bonds22

About 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone

1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone (PubChem CID 160808011) has the molecular formula C121H110Cl8F4N8O7 and a molecular weight of 2147.88 g/mol. Its IUPAC name is 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone
PubChem CID160808011
Molecular FormulaC121H110Cl8F4N8O7
Molecular Weight2147.88 g/mol
Exact Mass2142.59
IUPAC Name1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone
SMILESCOc1ccc(-c2ccc(CC(=O)N3CCN(c4ccc(C)cc4Cl)C(c4ccc(Cl)cc4)C3)cc2)cc1.COc1cccc(-c2ccc(CC(=O)N3CCN(c4ccc(C)cc4Cl)C(c4ccc(Cl)cc4)C3)cc2)c1.Cc1ccc(N2CCN(C(=O)Cc3cc(F)cc(C(F)(F)F)c3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)Cc3ccc(Oc4ccccc4)cc3)CC2c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/2C32H30Cl2N2O2.C31H28Cl2N2O2.C26H22Cl2F4N2O/c1-22-3-16-30(29(34)19-22)36-18-17-35(21-31(36)26-8-12-27(33)13-9-26)32(37)20-23-4-6-24(7-5-23)25-10-14-28(38-2)15-11-25;1-22-6-15-30(29(34)18-22)36-17-16-35(21-31(36)25-11-13-27(33)14-12-25)32(37)19-23-7-9-24(10-8-23)26-4-3-5-28(20-26)38-2;1-22-7-16-29(28(33)19-22)35-18-17-34(21-30(35)24-10-12-25(32)13-11-24)31(36)20-23-8-14-27(15-9-23)37-26-5-3-2-4-6-26;1-16-2-7-23(22(28)10-16)34-9-8-33(15-24(34)18-3-5-20(27)6-4-18)25(35)13-17-11-19(26(30,31)32)14-21(29)12-17/h3-16,19,31H,17-18,20-21H2,1-2H3;3-15,18,20,31H,16-17,19,21H2,1-2H3;2-16,19,30H,17-18,20-21H2,1H3;2-7,10-12,14,24H,8-9,13,15H2,1H3
InChIKeySDYHYQRKXAVUSV-UHFFFAOYSA-N
XLogP30.04
TPSA121.89 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002147.88
LogP ≤ 530.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone?
The IUPAC name of 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone (CID 160808011) is 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone is COc1ccc(-c2ccc(CC(=O)N3CCN(c4ccc(C)cc4Cl)C(c4ccc(Cl)cc4)C3)cc2)cc1.COc1cccc(-c2ccc(CC(=O)N3CCN(c4ccc(C)cc4Cl)C(c4ccc(Cl)cc4)C3)cc2)c1.Cc1ccc(N2CCN(C(=O)Cc3cc(F)cc(C(F)(F)F)c3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)Cc3ccc(Oc4ccccc4)cc3)CC2c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone?
The InChIKey is SDYHYQRKXAVUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H30Cl2N2O2.C31H28Cl2N2O2.C26H22Cl2F4N2O/c1-22-3-16-30(29(34)19-22)36-18-17-35(21-31(36)26-8-12-27(33)13-9-26)32(37)20-23-4-6-24(7-5-23)25-10-14-28(38-2)15-11-25;1-22-6-15-30(29(34)18-22)36-17-16-35(21-31(36)25-11-13-27(33)14-12-25)32(37)19-23-7-9-24(10-8-23)26-4-3-5-28(20-26)38-2;1-22-7-16-29(28(33)19-22)35-18-17-34(21-30(35)24-10-12-25(32)13-11-24)31(36)20-23-8-14-27(15-9-23)37-26-5-3-2-4-6-26;1-16-2-7-23(22(28)10-16)34-9-8-33(15-24(34)18-3-5-20(27)6-4-18)25(35)13-17-11-19(26(30,31)32)14-21(29)12-17/h3-16,19,31H,17-18,20-21H2,1-2H3;3-15,18,20,31H,16-17,19,21H2,1-2H3;2-16,19,30H,17-18,20-21H2,1H3;2-7,10-12,14,24H,8-9,13,15H2,1H3.
What are the key properties of 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone?
1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone has a molecular weight of 2147.88 g/mol, XLogP of 30.04, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone is sourced from PubChem (CID 160808011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).