1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione

C21H16ClF3N2O3 — CID 110560423

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H16ClF3N2O3/c22-16-7-6-14(12-15(16)21(23,24)25)27-19(28)17(13-4-2-1-3-5-13)18(20(27)29)26-8-10-30-11-9-26/h1-7,12H,8-11H2
InChIKeyUOTHKFGDHIBVNH-UHFFFAOYSA-N
MW436.82 g/mol
LogP3.98
Rot. Bonds3

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione (PubChem CID 110560423) has the molecular formula C21H16ClF3N2O3 and a molecular weight of 436.82 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
PubChem CID110560423
Molecular FormulaC21H16ClF3N2O3
Molecular Weight436.82 g/mol
Exact Mass436.08
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H16ClF3N2O3/c22-16-7-6-14(12-15(16)21(23,24)25)27-19(28)17(13-4-2-1-3-5-13)18(20(27)29)26-8-10-30-11-9-26/h1-7,12H,8-11H2
InChIKeyUOTHKFGDHIBVNH-UHFFFAOYSA-N
XLogP3.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.82
LogP ≤ 53.98
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

1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110560474
1-(3-bromophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110560399
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
CID 110560426
1-(2-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110560663
3-(4-methylphenyl)-4-morpholin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110571547
1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110550235
1-(3-chloro-4-fluorophenyl)-3-morpholin-4-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554505
1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110566761
1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110573310
3-(4-chlorophenyl)-4-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110570484
1-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110544608
1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110544646

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione (CID 110560423) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione is O=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The InChIKey is UOTHKFGDHIBVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O3/c22-16-7-6-14(12-15(16)21(23,24)25)27-19(28)17(13-4-2-1-3-5-13)18(20(27)29)26-8-10-30-11-9-26/h1-7,12H,8-11H2.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione has a molecular weight of 436.82 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110560423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).