3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione

C22H14F2N2O2 — CID 110595208

IUPAC3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
SMILESO=C1C(Nc2cccc(F)c2)=C(c2ccccc2)C(=O)N1c1ccccc1F
InChIInChI=1S/C22H14F2N2O2/c23-15-9-6-10-16(13-15)25-20-19(14-7-2-1-3-8-14)21(27)26(22(20)28)18-12-5-4-11-17(18)24/h1-13,25H
InChIKeyKQDNYIHETYPPMC-UHFFFAOYSA-N
MW376.36 g/mol
LogP4.36
Rot. Bonds4

About 3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione

3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110595208) has the molecular formula C22H14F2N2O2 and a molecular weight of 376.36 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
PubChem CID110595208
Molecular FormulaC22H14F2N2O2
Molecular Weight376.36 g/mol
Exact Mass376.10
IUPAC Name3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
SMILESO=C1C(Nc2cccc(F)c2)=C(c2ccccc2)C(=O)N1c1ccccc1F
InChIInChI=1S/C22H14F2N2O2/c23-15-9-6-10-16(13-15)25-20-19(14-7-2-1-3-8-14)21(27)26(22(20)28)18-12-5-4-11-17(18)24/h1-13,25H
InChIKeyKQDNYIHETYPPMC-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 54.36
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-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595207
3-(3-ethoxyanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595199
3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110599750
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110587449
1-(2-chlorophenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587573
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110587281
3-(3-fluoroanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110596146
1-(2,5-dimethoxyphenyl)-3-(3-fluoroanilino)-4-phenylpyrrole-2,5-dione
CID 110595308
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110587203
1-(2,4-difluorophenyl)-3-(3-fluoroanilino)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585791
1-(2,5-difluorophenyl)-3-(3,4-dimethylphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione
CID 110589956
1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586729

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione (CID 110595208) is 3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione is O=C1C(Nc2cccc(F)c2)=C(c2ccccc2)C(=O)N1c1ccccc1F.
What is the InChIKey of 3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is KQDNYIHETYPPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O2/c23-15-9-6-10-16(13-15)25-20-19(14-7-2-1-3-8-14)21(27)26(22(20)28)18-12-5-4-11-17(18)24/h1-13,25H.
What are the key properties of 3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione?
3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 376.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110595208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).