3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione

C18H12Cl2FNO2 — CID 110582166

IUPAC3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Cl)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1C
InChIInChI=1S/C18H12Cl2FNO2/c1-9-3-4-11(7-10(9)2)15-16(20)18(24)22(17(15)23)12-5-6-14(21)13(19)8-12/h3-8H,1-2H3
InChIKeyFNVFXNDUHMLHEE-UHFFFAOYSA-N
MW364.20 g/mol
LogP4.62
Rot. Bonds2

About 3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione

3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 110582166) has the molecular formula C18H12Cl2FNO2 and a molecular weight of 364.20 g/mol. Its IUPAC name is 3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
PubChem CID110582166
Molecular FormulaC18H12Cl2FNO2
Molecular Weight364.20 g/mol
Exact Mass363.02
IUPAC Name3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Cl)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1C
InChIInChI=1S/C18H12Cl2FNO2/c1-9-3-4-11(7-10(9)2)15-16(20)18(24)22(17(15)23)12-5-6-14(21)13(19)8-12/h3-8H,1-2H3
InChIKeyFNVFXNDUHMLHEE-UHFFFAOYSA-N
XLogP4.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)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

Related Compounds

3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110582148
3-chloro-4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110584110
3-chloro-1-(2,5-difluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110582201
3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione
CID 725181
3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584277
3-chloro-1-(3-chloro-4-fluorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110580715
3-chloro-1-(3,4-dichlorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584245
3-chloro-4-(3,4-dimethylphenyl)-1-(3-ethoxyphenyl)pyrrole-2,5-dione
CID 110582083
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione
CID 110589576
1-(3-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110550566
3-(5-chloro-2-methylanilino)-1-(4-chlorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110589582
3-(5-chloro-2-methylanilino)-4-(3,4-dimethylphenyl)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110589257

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione (CID 110582166) is 3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(Cl)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1C.
What is the InChIKey of 3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is FNVFXNDUHMLHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FNO2/c1-9-3-4-11(7-10(9)2)15-16(20)18(24)22(17(15)23)12-5-6-14(21)13(19)8-12/h3-8H,1-2H3.
What are the key properties of 3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione?
3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 364.20 g/mol, XLogP of 4.62, 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-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110582166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).