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

C18H15NO2 — CID 70690209

IUPAC1-benzyl-3-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=CC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H15NO2/c1-13-7-9-15(10-8-13)16-11-17(20)19(18(16)21)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3
InChIKeyPLQCDKKQKRJJDK-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.95
Rot. Bonds3

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

1-benzyl-3-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 70690209) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-benzyl-3-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID70690209
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-benzyl-3-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=CC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H15NO2/c1-13-7-9-15(10-8-13)16-11-17(20)19(18(16)21)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3
InChIKeyPLQCDKKQKRJJDK-UHFFFAOYSA-N
XLogP2.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 4284
N,N-Diethylbenzamide
CID 15542
Benzoylpiperidine
CID 69892
AR-M1000390
CID 9841259
N,N'-dibenzoylpiperazine
CID 80185
N,N-Dibenzylbenzamide
CID 101312
N,N-Diethyl-p-toluamide
CID 75946
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
Pyrrolidine, 1-(o-benzoylbenzoyl)-
CID 208220
4-Benzyl-1-(3-methylbenzoyl)piperidine
CID 1378917

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-(4-methylphenyl)pyrrole-2,5-dione (CID 70690209) is 1-benzyl-3-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-(4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=CC(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 1-benzyl-3-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is PLQCDKKQKRJJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-13-7-9-15(10-8-13)16-11-17(20)19(18(16)21)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3.
What are the key properties of 1-benzyl-3-(4-methylphenyl)pyrrole-2,5-dione?
1-benzyl-3-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 277.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 70690209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).