3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione

C24H19FN2O3 — CID 110594724

IUPAC3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
SMILESCOc1ccccc1CN1C(=O)C(Nc2cccc(F)c2)=C(c2ccccc2)C1=O
InChIInChI=1S/C24H19FN2O3/c1-30-20-13-6-5-10-17(20)15-27-23(28)21(16-8-3-2-4-9-16)22(24(27)29)26-19-12-7-11-18(25)14-19/h2-14,26H,15H2,1H3
InChIKeyFBRJXUNGAMEGIM-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.23
Rot. Bonds6

About 3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione

3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione (PubChem CID 110594724) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
PubChem CID110594724
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
SMILESCOc1ccccc1CN1C(=O)C(Nc2cccc(F)c2)=C(c2ccccc2)C1=O
InChIInChI=1S/C24H19FN2O3/c1-30-20-13-6-5-10-17(20)15-27-23(28)21(16-8-3-2-4-9-16)22(24(27)29)26-19-12-7-11-18(25)14-19/h2-14,26H,15H2,1H3
InChIKeyFBRJXUNGAMEGIM-UHFFFAOYSA-N
XLogP4.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.23
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-methoxyanilino)-4-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110593009
1-benzyl-3-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione
CID 110596880
1-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110597412
3-(3-fluoroanilino)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110594588
1-[(4-fluorophenyl)methyl]-3-(3-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594690
1-[(2-chlorophenyl)methyl]-3-(3-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594265
3-(2,3-dimethylanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594736
3-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110597775
3-(2,5-dimethoxyanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594732
3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110586440
3-(3-chloro-2-methylanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594725
1-[(3,4-dimethoxyphenyl)methyl]-3-(3-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594942

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione (CID 110594724) is 3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione is COc1ccccc1CN1C(=O)C(Nc2cccc(F)c2)=C(c2ccccc2)C1=O.
What is the InChIKey of 3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione?
The InChIKey is FBRJXUNGAMEGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-30-20-13-6-5-10-17(20)15-27-23(28)21(16-8-3-2-4-9-16)22(24(27)29)26-19-12-7-11-18(25)14-19/h2-14,26H,15H2,1H3.
What are the key properties of 3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione?
3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione has a molecular weight of 402.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110594724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).