3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione

C25H22N2O3 — CID 110593914

IUPAC3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1cccc(N2C(=O)C(Nc3ccccc3)=C(c3ccccc3)C2=O)c1
InChIInChI=1S/C25H22N2O3/c1-2-16-30-21-15-9-14-20(17-21)27-24(28)22(18-10-5-3-6-11-18)23(25(27)29)26-19-12-7-4-8-13-19/h3-15,17,26H,2,16H2,1H3
InChIKeyBFPNKDUVDMLUGX-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.87
Rot. Bonds7

About 3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione

3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione (PubChem CID 110593914) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
PubChem CID110593914
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1cccc(N2C(=O)C(Nc3ccccc3)=C(c3ccccc3)C2=O)c1
InChIInChI=1S/C25H22N2O3/c1-2-16-30-21-15-9-14-20(17-21)27-24(28)22(18-10-5-3-6-11-18)23(25(27)29)26-19-12-7-4-8-13-19/h3-15,17,26H,2,16H2,1H3
InChIKeyBFPNKDUVDMLUGX-UHFFFAOYSA-N
XLogP4.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.87
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-(4-methoxyanilino)-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110593907
3-[4-(dimethylamino)anilino]-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110593898
3-(2,3-dimethylanilino)-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110593913
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110592505
1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110596058
3-(3,4-dimethoxyphenyl)-1-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110597204
3-anilino-4-(4-chlorophenyl)-1-(3-ethoxyphenyl)pyrrole-2,5-dione
CID 110599011
3-(3,4-dimethylanilino)-4-(4-methylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110600196
3-(4-chlorophenyl)-1-(3-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110599632
3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110595355
3-(2,3-dimethylanilino)-4-(4-methylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110600200
3-(3,4-dimethylphenyl)-4-(3-fluoroanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110588504

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione (CID 110593914) is 3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione is CCCOc1cccc(N2C(=O)C(Nc3ccccc3)=C(c3ccccc3)C2=O)c1.
What is the InChIKey of 3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione?
The InChIKey is BFPNKDUVDMLUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-2-16-30-21-15-9-14-20(17-21)27-24(28)22(18-10-5-3-6-11-18)23(25(27)29)26-19-12-7-4-8-13-19/h3-15,17,26H,2,16H2,1H3.
What are the key properties of 3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione?
3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione has a molecular weight of 398.46 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110593914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).