3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione

C19H12Cl2F3NO2 — CID 110584888

IUPAC3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Cl)C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)c(C)c1
InChIInChI=1S/C19H12Cl2F3NO2/c1-9-3-5-12(10(2)7-9)15-16(21)18(27)25(17(15)26)11-4-6-14(20)13(8-11)19(22,23)24/h3-8H,1-2H3
InChIKeyBGFJSLPCNAFICG-UHFFFAOYSA-N
MW414.21 g/mol
LogP5.50
Rot. Bonds2

About 3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione

3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 110584888) has the molecular formula C19H12Cl2F3NO2 and a molecular weight of 414.21 g/mol. Its IUPAC name is 3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
PubChem CID110584888
Molecular FormulaC19H12Cl2F3NO2
Molecular Weight414.21 g/mol
Exact Mass413.02
IUPAC Name3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Cl)C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)c(C)c1
InChIInChI=1S/C19H12Cl2F3NO2/c1-9-3-5-12(10(2)7-9)15-16(21)18(27)25(17(15)26)11-4-6-14(20)13(8-11)19(22,23)24/h3-8H,1-2H3
InChIKeyBGFJSLPCNAFICG-UHFFFAOYSA-N
XLogP5.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.21
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110584624
3-chloro-4-(2,4-dimethylphenyl)-1-methylpyrrole-2,5-dione
CID 110584858
3-chloro-1-(3,4-dichlorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584245
1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 3729076
1-(3,4-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110579771
1-(3-chloro-4-methylphenyl)-3-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110580203
2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione
CID 1307065
2-[4-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 59128028
1-(3,4-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110579769
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
CID 110560426
(3aR,7aR)-2-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 1005425
(3aR,7aS)-2-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 1005426

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione (CID 110584888) is 3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(Cl)C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)c(C)c1.
What is the InChIKey of 3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is BGFJSLPCNAFICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F3NO2/c1-9-3-5-12(10(2)7-9)15-16(21)18(27)25(17(15)26)11-4-6-14(20)13(8-11)19(22,23)24/h3-8H,1-2H3.
What are the key properties of 3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione?
3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 414.21 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110584888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).