1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione

C27H26N2O2 — CID 110573344

IUPAC1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(C)cc2)C(=O)N(c2cc(C)cc(C)c2)C1=O)c1ccccc1
InChIInChI=1S/C27H26N2O2/c1-5-28(22-9-7-6-8-10-22)25-24(21-13-11-18(2)12-14-21)26(30)29(27(25)31)23-16-19(3)15-20(4)17-23/h6-17H,5H2,1-4H3
InChIKeyZFAYULMPYNQDDG-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.42
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione

1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110573344) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110573344
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(C)cc2)C(=O)N(c2cc(C)cc(C)c2)C1=O)c1ccccc1
InChIInChI=1S/C27H26N2O2/c1-5-28(22-9-7-6-8-10-22)25-24(21-13-11-18(2)12-14-21)26(30)29(27(25)31)23-16-19(3)15-20(4)17-23/h6-17H,5H2,1-4H3
InChIKeyZFAYULMPYNQDDG-UHFFFAOYSA-N
XLogP5.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110573344) is 1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione is CCN(C1=C(c2ccc(C)cc2)C(=O)N(c2cc(C)cc(C)c2)C1=O)c1ccccc1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is ZFAYULMPYNQDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-5-28(22-9-7-6-8-10-22)25-24(21-13-11-18(2)12-14-21)26(30)29(27(25)31)23-16-19(3)15-20(4)17-23/h6-17H,5H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 410.52 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110573344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).