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

C24H20N2O2 — CID 110594191

IUPAC3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESO=C1C(Nc2ccccc2)=C(c2ccccc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C24H20N2O2/c27-23-21(19-12-6-2-7-13-19)22(25-20-14-8-3-9-15-20)24(28)26(23)17-16-18-10-4-1-5-11-18/h1-15,25H,16-17H2
InChIKeyNFXPRWFFFFKUSI-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.12
Rot. Bonds6

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

3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione (PubChem CID 110594191) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
PubChem CID110594191
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESO=C1C(Nc2ccccc2)=C(c2ccccc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C24H20N2O2/c27-23-21(19-12-6-2-7-13-19)22(25-20-14-8-3-9-15-20)24(28)26(23)17-16-18-10-4-1-5-11-18/h1-15,25H,16-17H2
InChIKeyNFXPRWFFFFKUSI-UHFFFAOYSA-N
XLogP4.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110594168
3-(4-chlorophenyl)-4-(4-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110599049
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110599051
3-(4-fluoroanilino)-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
CID 110585947
3-[4-(diethylamino)anilino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110585967
1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110594470
3-(3,4-dimethylanilino)-4-(4-nitrophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110584978
3-(2-ethoxyanilino)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110585973
3-(2,5-dimethylanilino)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110585982
3-(2,5-dimethoxyanilino)-1-[2-(4-methoxyphenyl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110594208
3-anilino-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586425
3-[4-(dimethylamino)anilino]-4-phenyl-1-propylpyrrole-2,5-dione
CID 110594486

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione (CID 110594191) is 3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione is O=C1C(Nc2ccccc2)=C(c2ccccc2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione?
The InChIKey is NFXPRWFFFFKUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c27-23-21(19-12-6-2-7-13-19)22(25-20-14-8-3-9-15-20)24(28)26(23)17-16-18-10-4-1-5-11-18/h1-15,25H,16-17H2.
What are the key properties of 3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione?
3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione has a molecular weight of 368.44 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110594191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).