3-(2-fluorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione

C22H21F4N3O2 — CID 70684752

IUPAC3-(2-fluorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2F)C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H21F4N3O2/c23-19-7-2-1-6-17(19)18-13-20(30)29(21(18)31)14-27-8-10-28(11-9-27)16-5-3-4-15(12-16)22(24,25)26/h1-7,12,18H,8-11,13-14H2
InChIKeyVVPXQPXRGXWSCJ-UHFFFAOYSA-N
MW435.42 g/mol
LogP3.47
Rot. Bonds4

About 3-(2-fluorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione

3-(2-fluorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 70684752) has the molecular formula C22H21F4N3O2 and a molecular weight of 435.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione
PubChem CID70684752
Molecular FormulaC22H21F4N3O2
Molecular Weight435.42 g/mol
Exact Mass435.16
IUPAC Name3-(2-fluorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2F)C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H21F4N3O2/c23-19-7-2-1-6-17(19)18-13-20(30)29(21(18)31)14-27-8-10-28(11-9-27)16-5-3-4-15(12-16)22(24,25)26/h1-7,12,18H,8-11,13-14H2
InChIKeyVVPXQPXRGXWSCJ-UHFFFAOYSA-N
XLogP3.47
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42631197
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 42631096
3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
CID 70697297
3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 18081601
2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8547900
(3S)-1-[(4-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 41270703
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887
(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 1213267
1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one
CID 10157148
5-(2-fluorophenyl)-4-methyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-triazole-3-thione
CID 31056941
4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione
CID 14086524
7-methyl-2-phenyl-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one
CID 3073409

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-fluorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione (CID 70684752) is 3-(2-fluorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-fluorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione is O=C1CC(c2ccccc2F)C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is VVPXQPXRGXWSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N3O2/c23-19-7-2-1-6-17(19)18-13-20(30)29(21(18)31)14-27-8-10-28(11-9-27)16-5-3-4-15(12-16)22(24,25)26/h1-7,12,18H,8-11,13-14H2.
What are the key properties of 3-(2-fluorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione?
3-(2-fluorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 435.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 70684752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).