1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione

C26H24N2O3 — CID 110596058

IUPAC1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione
SMILESCCCOc1cccc(NC2=C(c3ccccc3)C(=O)N(c3ccccc3C)C2=O)c1
InChIInChI=1S/C26H24N2O3/c1-3-16-31-21-14-9-13-20(17-21)27-24-23(19-11-5-4-6-12-19)25(29)28(26(24)30)22-15-8-7-10-18(22)2/h4-15,17,27H,3,16H2,1-2H3
InChIKeyQCIAFEIIMINATJ-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.18
Rot. Bonds7

About 1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione

1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione (PubChem CID 110596058) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione
PubChem CID110596058
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione
SMILESCCCOc1cccc(NC2=C(c3ccccc3)C(=O)N(c3ccccc3C)C2=O)c1
InChIInChI=1S/C26H24N2O3/c1-3-16-31-21-14-9-13-20(17-21)27-24-23(19-11-5-4-6-12-19)25(29)28(26(24)30)22-15-8-7-10-18(22)2/h4-15,17,27H,3,16H2,1-2H3
InChIKeyQCIAFEIIMINATJ-UHFFFAOYSA-N
XLogP5.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.18
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

1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110586975
1-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110593462
3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110593914
3-(4-chlorophenyl)-1-(2-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110599728
1-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110586722
3-(3-ethoxyanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
CID 110595704
3-(3-ethoxyanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595199
3-(2,3-dimethylanilino)-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110593913
3-anilino-4-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110588436
1-(2,3-dimethylphenyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591711
3-(4-methoxyanilino)-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110593907
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110592505

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione?
The IUPAC name of 1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione (CID 110596058) is 1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione is CCCOc1cccc(NC2=C(c3ccccc3)C(=O)N(c3ccccc3C)C2=O)c1.
What is the InChIKey of 1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione?
The InChIKey is QCIAFEIIMINATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-3-16-31-21-14-9-13-20(17-21)27-24-23(19-11-5-4-6-12-19)25(29)28(26(24)30)22-15-8-7-10-18(22)2/h4-15,17,27H,3,16H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione?
1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione has a molecular weight of 412.49 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110596058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).