3-anilino-1-benzyl-4-phenylpyrrole-2,5-dione

C23H18N2O2 — CID 24768116

IUPAC3-anilino-1-benzyl-4-phenylpyrrole-2,5-dione
SMILESO=C1C(Nc2ccccc2)=C(c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H18N2O2/c26-22-20(18-12-6-2-7-13-18)21(24-19-14-8-3-9-15-19)23(27)25(22)16-17-10-4-1-5-11-17/h1-15,24H,16H2
InChIKeyGLDDBILAEOMQJI-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.08
Rot. Bonds5

About 3-anilino-1-benzyl-4-phenylpyrrole-2,5-dione

3-anilino-1-benzyl-4-phenylpyrrole-2,5-dione (PubChem CID 24768116) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-anilino-1-benzyl-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-1-benzyl-4-phenylpyrrole-2,5-dione
PubChem CID24768116
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name3-anilino-1-benzyl-4-phenylpyrrole-2,5-dione
SMILESO=C1C(Nc2ccccc2)=C(c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H18N2O2/c26-22-20(18-12-6-2-7-13-18)21(24-19-14-8-3-9-15-19)23(27)25(22)16-17-10-4-1-5-11-17/h1-15,24H,16H2
InChIKeyGLDDBILAEOMQJI-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.08
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-Benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 15649435
N,N'-((4-(dimethylamino)phenyl)methylene)bis(2-phenylacetamide)
CID 4296438
(S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide
CID 2817619
Cyclopeptine
CID 179574
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamide
CID 223985
N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
1-Benzoyl-4-phenylpiperazine
CID 258240
N-Benzyl-4-(2-diphenyl)-1-piperazinehexanamide
CID 25107518
3-phenyl-4-(phenylamino)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539451
N-[4-(4-Phenyl-piperazin-1-yl)-butyl]-benzamide
CID 14162480
N-[1-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylcarbamoyl)-2-phenyl-vinyl]-benzamide
CID 5441576
(2S)-1-(2-phenylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]pyrrolidine-2-carboxamide
CID 11973715

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-benzyl-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-anilino-1-benzyl-4-phenylpyrrole-2,5-dione (CID 24768116) is 3-anilino-1-benzyl-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-1-benzyl-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-anilino-1-benzyl-4-phenylpyrrole-2,5-dione is O=C1C(Nc2ccccc2)=C(c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-anilino-1-benzyl-4-phenylpyrrole-2,5-dione?
The InChIKey is GLDDBILAEOMQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-22-20(18-12-6-2-7-13-18)21(24-19-14-8-3-9-15-19)23(27)25(22)16-17-10-4-1-5-11-17/h1-15,24H,16H2.
What are the key properties of 3-anilino-1-benzyl-4-phenylpyrrole-2,5-dione?
3-anilino-1-benzyl-4-phenylpyrrole-2,5-dione has a molecular weight of 354.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-benzyl-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 24768116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).