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

C17H7Cl3F3NO2 — CID 71547137

IUPAC3-chloro-1-(3,4-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H7Cl3F3NO2/c18-11-6-5-10(7-12(11)19)24-15(25)13(14(20)16(24)26)8-1-3-9(4-2-8)17(21,22)23/h1-7H
InChIKeyFGKRMUDQFGRDIW-UHFFFAOYSA-N
MW420.60 g/mol
LogP5.54
Rot. Bonds2

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

3-chloro-1-(3,4-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 71547137) has the molecular formula C17H7Cl3F3NO2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 3-chloro-1-(3,4-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(3,4-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID71547137
Molecular FormulaC17H7Cl3F3NO2
Molecular Weight420.60 g/mol
Exact Mass418.95
IUPAC Name3-chloro-1-(3,4-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H7Cl3F3NO2/c18-11-6-5-10(7-12(11)19)24-15(25)13(14(20)16(24)26)8-1-3-9(4-2-8)17(21,22)23/h1-7H
InChIKeyFGKRMUDQFGRDIW-UHFFFAOYSA-N
XLogP5.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-1-(3,4-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3,4-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(3,4-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 71547137) is 3-chloro-1-(3,4-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(3,4-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(3,4-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione is O=C1C(Cl)=C(c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-1-(3,4-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is FGKRMUDQFGRDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7Cl3F3NO2/c18-11-6-5-10(7-12(11)19)24-15(25)13(14(20)16(24)26)8-1-3-9(4-2-8)17(21,22)23/h1-7H.
What are the key properties of 3-chloro-1-(3,4-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
3-chloro-1-(3,4-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 420.60 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3,4-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 71547137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).