3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione

C24H19FN2O3 — CID 110598367

IUPAC3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2cccc(F)c2)C(=O)N(c2cccc(C)c2)C1=O
InChIInChI=1S/C24H19FN2O3/c1-15-7-5-10-18(13-15)27-23(28)21(19-11-3-4-12-20(19)30-2)22(24(27)29)26-17-9-6-8-16(25)14-17/h3-14,26H,1-2H3
InChIKeyPNDTVHFDULOCCI-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.54
Rot. Bonds5

About 3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione

3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione (PubChem CID 110598367) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
PubChem CID110598367
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2cccc(F)c2)C(=O)N(c2cccc(C)c2)C1=O
InChIInChI=1S/C24H19FN2O3/c1-15-7-5-10-18(13-15)27-23(28)21(19-11-3-4-12-20(19)30-2)22(24(27)29)26-17-9-6-8-16(25)14-17/h3-14,26H,1-2H3
InChIKeyPNDTVHFDULOCCI-UHFFFAOYSA-N
XLogP4.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethylanilino)-1-(3-fluorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110597997
3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110598565
1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598014
3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione
CID 110598289
3-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)-1-phenylpyrrole-2,5-dione
CID 110597211
1-(3,4-difluorophenyl)-3-(4-fluoroanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598600
3-(3-chloro-4-methoxyanilino)-4-(4-fluorophenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110587120
3-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110597775
3-chloro-1-(3-fluorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110583846
1-(3-fluorophenyl)-3-(3-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594991
3-(1,3-benzodioxol-5-ylamino)-1-(3,5-dimethylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566661
3-(4-fluoroanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110593586

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione (CID 110598367) is 3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione is COc1ccccc1C1=C(Nc2cccc(F)c2)C(=O)N(c2cccc(C)c2)C1=O.
What is the InChIKey of 3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione?
The InChIKey is PNDTVHFDULOCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-15-7-5-10-18(13-15)27-23(28)21(19-11-3-4-12-20(19)30-2)22(24(27)29)26-17-9-6-8-16(25)14-17/h3-14,26H,1-2H3.
What are the key properties of 3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione?
3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione has a molecular weight of 402.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110598367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).