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

C19H14ClF3N2O2 — CID 1033899

IUPAC3-chloro-1-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
SMILESCc1cccc(N2C(=O)C(Cl)=C(Nc3cccc(C(F)(F)F)c3)C2=O)c1C
InChIInChI=1S/C19H14ClF3N2O2/c1-10-5-3-8-14(11(10)2)25-17(26)15(20)16(18(25)27)24-13-7-4-6-12(9-13)19(21,22)23/h3-9,24H,1-2H3
InChIKeyNXWDFIGJGIVZKC-UHFFFAOYSA-N
MW394.78 g/mol
LogP4.76
Rot. Bonds3

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

3-chloro-1-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione (PubChem CID 1033899) has the molecular formula C19H14ClF3N2O2 and a molecular weight of 394.78 g/mol. Its IUPAC name is 3-chloro-1-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
PubChem CID1033899
Molecular FormulaC19H14ClF3N2O2
Molecular Weight394.78 g/mol
Exact Mass394.07
IUPAC Name3-chloro-1-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
SMILESCc1cccc(N2C(=O)C(Cl)=C(Nc3cccc(C(F)(F)F)c3)C2=O)c1C
InChIInChI=1S/C19H14ClF3N2O2/c1-10-5-3-8-14(11(10)2)25-17(26)15(20)16(18(25)27)24-13-7-4-6-12(9-13)19(21,22)23/h3-9,24H,1-2H3
InChIKeyNXWDFIGJGIVZKC-UHFFFAOYSA-N
XLogP4.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.78
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 1186087
3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 710533
3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 1182462
3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 728018
3-chloro-4-(3-methoxyanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 1180917
3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 1182466
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1189957
3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)-4-(3-ethoxyanilino)pyrrole-2,5-dione
CID 110599850
1-(2,4-dimethylphenyl)-3-(2-methoxyphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110598504
1-(3-chloro-4-methylphenyl)-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110592156
2-chloro-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione
CID 1380393
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-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione (CID 1033899) is 3-chloro-1-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione is Cc1cccc(N2C(=O)C(Cl)=C(Nc3cccc(C(F)(F)F)c3)C2=O)c1C.
What is the InChIKey of 3-chloro-1-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The InChIKey is NXWDFIGJGIVZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O2/c1-10-5-3-8-14(11(10)2)25-17(26)15(20)16(18(25)27)24-13-7-4-6-12(9-13)19(21,22)23/h3-9,24H,1-2H3.
What are the key properties of 3-chloro-1-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
3-chloro-1-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione has a molecular weight of 394.78 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 1033899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).