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

C25H22N2O2 — CID 110561966

IUPAC3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione
SMILESCCN(C1=C(c2ccccc2)C(=O)N(c2ccccc2C)C1=O)c1ccccc1
InChIInChI=1S/C25H22N2O2/c1-3-26(20-15-8-5-9-16-20)23-22(19-13-6-4-7-14-19)24(28)27(25(23)29)21-17-11-10-12-18(21)2/h4-17H,3H2,1-2H3
InChIKeyDQWWVYQIKUSCQA-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.81
Rot. Bonds5

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

3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110561966) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione
PubChem CID110561966
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione
SMILESCCN(C1=C(c2ccccc2)C(=O)N(c2ccccc2C)C1=O)c1ccccc1
InChIInChI=1S/C25H22N2O2/c1-3-26(20-15-8-5-9-16-20)23-22(19-13-6-4-7-14-19)24(28)27(25(23)29)21-17-11-10-12-18(21)2/h4-17H,3H2,1-2H3
InChIKeyDQWWVYQIKUSCQA-UHFFFAOYSA-N
XLogP4.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(N-ethylanilino)-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110545874
3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555342
1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110571477
3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110550412
1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylphenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110550609
1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573344
3-(N-ethylanilino)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544657
3-(4-chlorophenyl)-4-(N-methylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110571328
4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide
CID 110561205
3-(N-ethylanilino)-1-(2-fluorophenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577342
3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110560617
3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110576102

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione (CID 110561966) is 3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione is CCN(C1=C(c2ccccc2)C(=O)N(c2ccccc2C)C1=O)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is DQWWVYQIKUSCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-3-26(20-15-8-5-9-16-20)23-22(19-13-6-4-7-14-19)24(28)27(25(23)29)21-17-11-10-12-18(21)2/h4-17H,3H2,1-2H3.
What are the key properties of 3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione?
3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 382.46 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110561966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).