1-(3-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione

C20H17Cl2F3N4O2 — CID 24512302

IUPAC1-(3-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C20H17Cl2F3N4O2/c21-13-2-1-3-14(9-13)29-17(30)10-16(19(29)31)27-4-6-28(7-5-27)18-15(22)8-12(11-26-18)20(23,24)25/h1-3,8-9,11,16H,4-7,10H2
InChIKeyGMCNUWJFYOXKHR-UHFFFAOYSA-N
MW473.28 g/mol
LogP3.86
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione

1-(3-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 24512302) has the molecular formula C20H17Cl2F3N4O2 and a molecular weight of 473.28 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID24512302
Molecular FormulaC20H17Cl2F3N4O2
Molecular Weight473.28 g/mol
Exact Mass472.07
IUPAC Name1-(3-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C20H17Cl2F3N4O2/c21-13-2-1-3-14(9-13)29-17(30)10-16(19(29)31)27-4-6-28(7-5-27)18-15(22)8-12(11-26-18)20(23,24)25/h1-3,8-9,11,16H,4-7,10H2
InChIKeyGMCNUWJFYOXKHR-UHFFFAOYSA-N
XLogP3.86
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 24512308
3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 24512306
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
(3R)-1-(3,4-dichlorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1014242
(3R)-1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1087586
3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 5300233
1-(3-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 3406382
1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 2827716
(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 1213267
1-(3-bromophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 2835886
(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1288254
(3S)-1-(4-bromophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1041111

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 24512302) is 1-(3-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione is O=C1CC(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is GMCNUWJFYOXKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2F3N4O2/c21-13-2-1-3-14(9-13)29-17(30)10-16(19(29)31)27-4-6-28(7-5-27)18-15(22)8-12(11-26-18)20(23,24)25/h1-3,8-9,11,16H,4-7,10H2.
What are the key properties of 1-(3-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione?
1-(3-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 473.28 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 24512302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).