3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione

C23H14F4N2O2 — CID 110596146

IUPAC3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C(Nc2cccc(F)c2)=C(c2ccccc2)C(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H14F4N2O2/c24-16-7-4-8-17(13-16)28-20-19(14-5-2-1-3-6-14)21(30)29(22(20)31)18-11-9-15(10-12-18)23(25,26)27/h1-13,28H
InChIKeyJAOPHWAJDGKGJP-UHFFFAOYSA-N
MW426.37 g/mol
LogP5.24
Rot. Bonds4

About 3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione

3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 110596146) has the molecular formula C23H14F4N2O2 and a molecular weight of 426.37 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID110596146
Molecular FormulaC23H14F4N2O2
Molecular Weight426.37 g/mol
Exact Mass426.10
IUPAC Name3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C(Nc2cccc(F)c2)=C(c2ccccc2)C(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H14F4N2O2/c24-16-7-4-8-17(13-16)28-20-19(14-5-2-1-3-6-14)21(30)29(22(20)31)18-11-9-15(10-12-18)23(25,26)27/h1-13,28H
InChIKeyJAOPHWAJDGKGJP-UHFFFAOYSA-N
XLogP5.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.37
LogP ≤ 55.24
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-(3-methoxyanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110596141
1-(4-ethylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110595340
1-(4-chlorophenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587052
3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595208
1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110595609
3-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)-1-phenylpyrrole-2,5-dione
CID 110597211
1-(3-fluorophenyl)-3-(3-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594991
3-(1,3-benzodioxol-5-ylamino)-1-(3-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110560384
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110599758
N-[4-[2,5-dioxo-1-phenyl-4-[3-(trifluoromethyl)anilino]pyrrol-3-yl]phenyl]acetamide
CID 110596724
3-(3-fluoroanilino)-4-[4-(2-methylpropoxy)phenyl]-1-phenylpyrrole-2,5-dione
CID 110590248
1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110586648

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 110596146) is 3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione is O=C1C(Nc2cccc(F)c2)=C(c2ccccc2)C(=O)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is JAOPHWAJDGKGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F4N2O2/c24-16-7-4-8-17(13-16)28-20-19(14-5-2-1-3-6-14)21(30)29(22(20)31)18-11-9-15(10-12-18)23(25,26)27/h1-13,28H.
What are the key properties of 3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 426.37 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 110596146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).