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

C24H19FN2O4 — CID 110595308

IUPAC1-(2,5-dimethoxyphenyl)-3-(3-fluoroanilino)-4-phenylpyrrole-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)C(Nc3cccc(F)c3)=C(c3ccccc3)C2=O)c1
InChIInChI=1S/C24H19FN2O4/c1-30-18-11-12-20(31-2)19(14-18)27-23(28)21(15-7-4-3-5-8-15)22(24(27)29)26-17-10-6-9-16(25)13-17/h3-14,26H,1-2H3
InChIKeyRRUFLRIXPBBQHM-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.24
Rot. Bonds6

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

1-(2,5-dimethoxyphenyl)-3-(3-fluoroanilino)-4-phenylpyrrole-2,5-dione (PubChem CID 110595308) has the molecular formula C24H19FN2O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-(3-fluoroanilino)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-(3-fluoroanilino)-4-phenylpyrrole-2,5-dione
PubChem CID110595308
Molecular FormulaC24H19FN2O4
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC Name1-(2,5-dimethoxyphenyl)-3-(3-fluoroanilino)-4-phenylpyrrole-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)C(Nc3cccc(F)c3)=C(c3ccccc3)C2=O)c1
InChIInChI=1S/C24H19FN2O4/c1-30-18-11-12-20(31-2)19(14-18)27-23(28)21(15-7-4-3-5-8-15)22(24(27)29)26-17-10-6-9-16(25)13-17/h3-14,26H,1-2H3
InChIKeyRRUFLRIXPBBQHM-UHFFFAOYSA-N
XLogP4.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110587281
1-(3-fluorophenyl)-3-(3-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594991
1-(2,4-dimethoxyphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110595630
3-(3-fluoroanilino)-4-(4-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110593607
3-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)-1-phenylpyrrole-2,5-dione
CID 110597211
1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110595966
3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595208
3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595970
1-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 110587520
1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110595951
1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 110586651
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110599758

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(3-fluoroanilino)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(3-fluoroanilino)-4-phenylpyrrole-2,5-dione (CID 110595308) is 1-(2,5-dimethoxyphenyl)-3-(3-fluoroanilino)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-(3-fluoroanilino)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-(3-fluoroanilino)-4-phenylpyrrole-2,5-dione is COc1ccc(OC)c(N2C(=O)C(Nc3cccc(F)c3)=C(c3ccccc3)C2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-(3-fluoroanilino)-4-phenylpyrrole-2,5-dione?
The InChIKey is RRUFLRIXPBBQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4/c1-30-18-11-12-20(31-2)19(14-18)27-23(28)21(15-7-4-3-5-8-15)22(24(27)29)26-17-10-6-9-16(25)13-17/h3-14,26H,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-(3-fluoroanilino)-4-phenylpyrrole-2,5-dione?
1-(2,5-dimethoxyphenyl)-3-(3-fluoroanilino)-4-phenylpyrrole-2,5-dione has a molecular weight of 418.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-(3-fluoroanilino)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110595308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).