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

C24H19FN2O2 — CID 110595207

IUPAC3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
SMILESCc1cc(C)cc(NC2=C(c3ccccc3)C(=O)N(c3ccccc3F)C2=O)c1
InChIInChI=1S/C24H19FN2O2/c1-15-12-16(2)14-18(13-15)26-22-21(17-8-4-3-5-9-17)23(28)27(24(22)29)20-11-7-6-10-19(20)25/h3-14,26H,1-2H3
InChIKeyIRFYVBMWZCSKIL-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.84
Rot. Bonds4

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

3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110595207) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
PubChem CID110595207
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
SMILESCc1cc(C)cc(NC2=C(c3ccccc3)C(=O)N(c3ccccc3F)C2=O)c1
InChIInChI=1S/C24H19FN2O2/c1-15-12-16(2)14-18(13-15)26-22-21(17-8-4-3-5-9-17)23(28)27(24(22)29)20-11-7-6-10-19(20)25/h3-14,26H,1-2H3
InChIKeyIRFYVBMWZCSKIL-UHFFFAOYSA-N
XLogP4.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.84
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-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110599736
3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595208
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595852
3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110600121
3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110599750
3-(3,5-dimethoxyanilino)-1-(2-fluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586789
3-(3-ethoxyanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595199
3-(2,5-dimethylanilino)-1-(2-fluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586809
3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
CID 110594972
3-(3,5-dimethylanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110593933
1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110596205
3-(4-chlorophenyl)-4-[4-(dimethylamino)anilino]-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110599734

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione (CID 110595207) is 3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione is Cc1cc(C)cc(NC2=C(c3ccccc3)C(=O)N(c3ccccc3F)C2=O)c1.
What is the InChIKey of 3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is IRFYVBMWZCSKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c1-15-12-16(2)14-18(13-15)26-22-21(17-8-4-3-5-9-17)23(28)27(24(22)29)20-11-7-6-10-19(20)25/h3-14,26H,1-2H3.
What are the key properties of 3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione?
3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 386.43 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110595207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).