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

C23H16F2N2O3 — CID 110586651

IUPAC1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
SMILESCOc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc(F)c3)C2=O)c1
InChIInChI=1S/C23H16F2N2O3/c1-30-19-7-3-5-17(13-19)26-21-20(14-8-10-15(24)11-9-14)22(28)27(23(21)29)18-6-2-4-16(25)12-18/h2-13,26H,1H3
InChIKeyDQOKILVSSRDVGI-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.37
Rot. Bonds5

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

1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione (PubChem CID 110586651) has the molecular formula C23H16F2N2O3 and a molecular weight of 406.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
PubChem CID110586651
Molecular FormulaC23H16F2N2O3
Molecular Weight406.39 g/mol
Exact Mass406.11
IUPAC Name1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
SMILESCOc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc(F)c3)C2=O)c1
InChIInChI=1S/C23H16F2N2O3/c1-30-19-7-3-5-17(13-19)26-21-20(14-8-10-15(24)11-9-14)22(28)27(23(21)29)18-6-2-4-16(25)12-18/h2-13,26H,1H3
InChIKeyDQOKILVSSRDVGI-UHFFFAOYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)-3-(3-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594991
3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600222
1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110586648
1-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 110587520
3-(3-chloro-4-methoxyanilino)-4-(4-fluorophenyl)-1-(3-methoxyphenyl)pyrrole-2,5-dione
CID 110585874
3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110587392
3-(3-methoxyanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110593580
3-(4-fluoroanilino)-1-(3-methoxyphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110584955
1-[3-(dimethylamino)phenyl]-3-(3-fluoroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593805
3-(4-fluoroanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110593586
3-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)-4-(4-methoxyanilino)pyrrole-2,5-dione
CID 110597165
3-(4-ethoxyanilino)-1-(3-fluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586669

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione?
The IUPAC name of 1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione (CID 110586651) is 1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione is COc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc(F)c3)C2=O)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione?
The InChIKey is DQOKILVSSRDVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O3/c1-30-19-7-3-5-17(13-19)26-21-20(14-8-10-15(24)11-9-14)22(28)27(23(21)29)18-6-2-4-16(25)12-18/h2-13,26H,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione?
1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione has a molecular weight of 406.39 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110586651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).