3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione

C18H12ClF3N2O2 — CID 1186087

IUPAC3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
SMILESCc1ccccc1N1C(=O)C(Cl)=C(Nc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C18H12ClF3N2O2/c1-10-5-2-3-8-13(10)24-16(25)14(19)15(17(24)26)23-12-7-4-6-11(9-12)18(20,21)22/h2-9,23H,1H3
InChIKeyXRUMIBHLLDCXQH-UHFFFAOYSA-N
MW380.75 g/mol
LogP4.45
Rot. Bonds3

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

3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione (PubChem CID 1186087) has the molecular formula C18H12ClF3N2O2 and a molecular weight of 380.75 g/mol. Its IUPAC name is 3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
PubChem CID1186087
Molecular FormulaC18H12ClF3N2O2
Molecular Weight380.75 g/mol
Exact Mass380.05
IUPAC Name3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
SMILESCc1ccccc1N1C(=O)C(Cl)=C(Nc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C18H12ClF3N2O2/c1-10-5-2-3-8-13(10)24-16(25)14(19)15(17(24)26)23-12-7-4-6-11(9-12)18(20,21)22/h2-9,23H,1H3
InChIKeyXRUMIBHLLDCXQH-UHFFFAOYSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.75
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]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-1-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 1033899
3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 728018
3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 710533
3-chloro-4-(3-methoxyanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 1180917
4-[[4-chloro-1-(2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide
CID 1186093
3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione
CID 4735951
1-(2,4-dimethylphenyl)-3-(2-methoxyphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110598504
3-chloro-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 720385
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110587449
2-chloro-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione
CID 1380393
3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 1185251
1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110593323

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione (CID 1186087) is 3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione is Cc1ccccc1N1C(=O)C(Cl)=C(Nc2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The InChIKey is XRUMIBHLLDCXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O2/c1-10-5-2-3-8-13(10)24-16(25)14(19)15(17(24)26)23-12-7-4-6-11(9-12)18(20,21)22/h2-9,23H,1H3.
What are the key properties of 3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione has a molecular weight of 380.75 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 1186087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).