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

C24H16ClF3N2O2 — CID 110560426

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
SMILESCN(C1=C(c2ccccc2)C(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O)c1ccccc1
InChIInChI=1S/C24H16ClF3N2O2/c1-29(16-10-6-3-7-11-16)21-20(15-8-4-2-5-9-15)22(31)30(23(21)32)17-12-13-19(25)18(14-17)24(26,27)28/h2-14H,1H3
InChIKeyGTKIUSIXXNIUQU-UHFFFAOYSA-N
MW456.85 g/mol
LogP5.78
Rot. Bonds4

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

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione (PubChem CID 110560426) has the molecular formula C24H16ClF3N2O2 and a molecular weight of 456.85 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
PubChem CID110560426
Molecular FormulaC24H16ClF3N2O2
Molecular Weight456.85 g/mol
Exact Mass456.09
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
SMILESCN(C1=C(c2ccccc2)C(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O)c1ccccc1
InChIInChI=1S/C24H16ClF3N2O2/c1-29(16-10-6-3-7-11-16)21-20(15-8-4-2-5-9-15)22(31)30(23(21)32)17-12-13-19(25)18(14-17)24(26,27)28/h2-14H,1H3
InChIKeyGTKIUSIXXNIUQU-UHFFFAOYSA-N
XLogP5.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.85
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(N-methylanilino)-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561560
1-(4-chlorophenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110545221
1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573960
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110560423
3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573928
1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110576010
3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110560617
3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110584624
3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110576170
3-(4-chlorophenyl)-4-(N-methylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110571328
(1R,2S,6R,7S)-4-[4-chloro-3-(trifluoromethyl)phenyl]-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 94250032
3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110568709

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione (CID 110560426) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione is CN(C1=C(c2ccccc2)C(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O)c1ccccc1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione?
The InChIKey is GTKIUSIXXNIUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N2O2/c1-29(16-10-6-3-7-11-16)21-20(15-8-4-2-5-9-15)22(31)30(23(21)32)17-12-13-19(25)18(14-17)24(26,27)28/h2-14H,1H3.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione has a molecular weight of 456.85 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110560426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).