3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

C21H20F3N3O3 — CID 2856237

IUPAC3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)16-3-1-2-4-18(16)27-19(28)13-17(20(27)29)25-14-5-7-15(8-6-14)26-9-11-30-12-10-26/h1-8,17,25H,9-13H2
InChIKeyQVURHNHXWQUAMB-UHFFFAOYSA-N
MW419.40 g/mol
LogP3.29
Rot. Bonds4

About 3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 2856237) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID2856237
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC Name3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)16-3-1-2-4-18(16)27-19(28)13-17(20(27)29)25-14-5-7-15(8-6-14)26-9-11-30-12-10-26/h1-8,17,25H,9-13H2
InChIKeyQVURHNHXWQUAMB-UHFFFAOYSA-N
XLogP3.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 1083511
(3R)-1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 1143854
(3S)-3-(4-methoxyanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 1143831
2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid
CID 18775533
(3S)-1-(4-iodophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 40588175
(3S)-1-[4-(dimethylamino)phenyl]-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 1090068
(3S)-1-(4-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 986889
3-(3-nitroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 4825803
3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 19163739
(3R)-1-cyclopentyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 7455923
(3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 98188351
1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2947183

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (CID 2856237) is 3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1C(F)(F)F.
What is the InChIKey of 3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is QVURHNHXWQUAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c22-21(23,24)16-3-1-2-4-18(16)27-19(28)13-17(20(27)29)25-14-5-7-15(8-6-14)26-9-11-30-12-10-26/h1-8,17,25H,9-13H2.
What are the key properties of 3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 419.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2856237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).