3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione

C25H19Cl2FN2O2 — CID 110585934

IUPAC3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCc1ccc(Cl)cc1NC1=C(c2ccc(F)cc2)C(=O)N(CCc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C25H19Cl2FN2O2/c1-15-2-7-19(27)14-21(15)29-23-22(17-5-10-20(28)11-6-17)24(31)30(25(23)32)13-12-16-3-8-18(26)9-4-16/h2-11,14,29H,12-13H2,1H3
InChIKeyUXZQTJWNNGRKPT-UHFFFAOYSA-N
MW469.34 g/mol
LogP5.88
Rot. Bonds6

About 3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione

3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione (PubChem CID 110585934) has the molecular formula C25H19Cl2FN2O2 and a molecular weight of 469.34 g/mol. Its IUPAC name is 3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
PubChem CID110585934
Molecular FormulaC25H19Cl2FN2O2
Molecular Weight469.34 g/mol
Exact Mass468.08
IUPAC Name3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCc1ccc(Cl)cc1NC1=C(c2ccc(F)cc2)C(=O)N(CCc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C25H19Cl2FN2O2/c1-15-2-7-19(27)14-21(15)29-23-22(17-5-10-20(28)11-6-17)24(31)30(25(23)32)13-12-16-3-8-18(26)9-4-16/h2-11,14,29H,12-13H2,1H3
InChIKeyUXZQTJWNNGRKPT-UHFFFAOYSA-N
XLogP5.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.34
LogP ≤ 55.88
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-(5-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110586368
3-(2,5-dimethylanilino)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110585982
1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione
CID 110599221
3-(4-chlorophenyl)-4-(4-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110599049
1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-methylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586090
3-(4-fluoroanilino)-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
CID 110585947
3-(2,3-dimethylanilino)-1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600349
3-(5-chloro-2-methylanilino)-1-[(4-methylphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594305
3-(5-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110586143
3-(5-chloro-2-methylanilino)-4-(3,4-dimethylphenyl)-1-propylpyrrole-2,5-dione
CID 110588845
3-(5-chloro-2-methylanilino)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110594593
3-(5-chloro-2-methylanilino)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590502

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione (CID 110585934) is 3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione is Cc1ccc(Cl)cc1NC1=C(c2ccc(F)cc2)C(=O)N(CCc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is UXZQTJWNNGRKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2FN2O2/c1-15-2-7-19(27)14-21(15)29-23-22(17-5-10-20(28)11-6-17)24(31)30(25(23)32)13-12-16-3-8-18(26)9-4-16/h2-11,14,29H,12-13H2,1H3.
What are the key properties of 3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione?
3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 469.34 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110585934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).