1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione

C24H18ClFN2O2 — CID 110589576

IUPAC1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1C
InChIInChI=1S/C24H18ClFN2O2/c1-14-3-4-16(13-15(14)2)21-22(27-19-9-7-18(26)8-10-19)24(30)28(23(21)29)20-11-5-17(25)6-12-20/h3-13,27H,1-2H3
InChIKeyLPEBIKDGATUJNZ-UHFFFAOYSA-N
MW420.87 g/mol
LogP5.49
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione

1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione (PubChem CID 110589576) has the molecular formula C24H18ClFN2O2 and a molecular weight of 420.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione
PubChem CID110589576
Molecular FormulaC24H18ClFN2O2
Molecular Weight420.87 g/mol
Exact Mass420.10
IUPAC Name1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1C
InChIInChI=1S/C24H18ClFN2O2/c1-14-3-4-16(13-15(14)2)21-22(27-19-9-7-18(26)8-10-19)24(30)28(23(21)29)20-11-5-17(25)6-12-20/h3-13,27H,1-2H3
InChIKeyLPEBIKDGATUJNZ-UHFFFAOYSA-N
XLogP5.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.87
LogP ≤ 55.49
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

1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione
CID 110589775
1-(4-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110589572
3-(5-chloro-2-methylanilino)-1-(4-chlorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110589582
3-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione
CID 110599660
3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110589635
3-(3,4-dimethylanilino)-4-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110587404
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 110589573
3-(1,3-benzodioxol-5-ylamino)-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110549729
3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)-1-methylpyrrole-2,5-dione
CID 110588896
3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110582148
3-(3,4-dimethoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110597175
3-(3,4-dimethylanilino)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110586847

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione (CID 110589576) is 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione is Cc1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1C.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione?
The InChIKey is LPEBIKDGATUJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O2/c1-14-3-4-16(13-15(14)2)21-22(27-19-9-7-18(26)8-10-19)24(30)28(23(21)29)20-11-5-17(25)6-12-20/h3-13,27H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione?
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione has a molecular weight of 420.87 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110589576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).