1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione

C24H19F2N3O2 — CID 110596193

IUPAC1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione
SMILESCN(C)c1ccc(NC2=C(c3ccccc3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1
InChIInChI=1S/C24H19F2N3O2/c1-28(2)18-11-9-17(10-12-18)27-22-21(15-6-4-3-5-7-15)23(30)29(24(22)31)20-14-16(25)8-13-19(20)26/h3-14,27H,1-2H3
InChIKeyCNGWNOGWUMKHBQ-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.43
Rot. Bonds5

About 1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione

1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione (PubChem CID 110596193) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione
PubChem CID110596193
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione
SMILESCN(C)c1ccc(NC2=C(c3ccccc3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1
InChIInChI=1S/C24H19F2N3O2/c1-28(2)18-11-9-17(10-12-18)27-22-21(15-6-4-3-5-7-15)23(30)29(24(22)31)20-14-16(25)8-13-19(20)26/h3-14,27H,1-2H3
InChIKeyCNGWNOGWUMKHBQ-UHFFFAOYSA-N
XLogP4.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585802
1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110596205
3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595070
3-(4-chlorophenyl)-4-[4-(dimethylamino)anilino]-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110599734
3-[4-(dimethylamino)anilino]-1-[(4-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594695
3-[4-(dimethylamino)anilino]-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595959
3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595208
3-[benzyl(methyl)amino]-1-(2,5-difluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110562123
3-[4-(dimethylamino)anilino]-4-(3,4-dimethylphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110589876
3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595207
3-[4-(dimethylamino)anilino]-4-phenyl-1-propylpyrrole-2,5-dione
CID 110594486
3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110599750

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione (CID 110596193) is 1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione is CN(C)c1ccc(NC2=C(c3ccccc3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione?
The InChIKey is CNGWNOGWUMKHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c1-28(2)18-11-9-17(10-12-18)27-22-21(15-6-4-3-5-7-15)23(30)29(24(22)31)20-14-16(25)8-13-19(20)26/h3-14,27H,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione?
1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione has a molecular weight of 419.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110596193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).