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

C19H16BrNO2 — CID 71662302

IUPAC1-benzyl-3-bromo-4-(2-ethylphenyl)pyrrole-2,5-dione
SMILESCCc1ccccc1C1=C(Br)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C19H16BrNO2/c1-2-14-10-6-7-11-15(14)16-17(20)19(23)21(18(16)22)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyBHSAKMZUPYVADS-UHFFFAOYSA-N
MW370.25 g/mol
LogP3.92
Rot. Bonds4

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

1-benzyl-3-bromo-4-(2-ethylphenyl)pyrrole-2,5-dione (PubChem CID 71662302) has the molecular formula C19H16BrNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is 1-benzyl-3-bromo-4-(2-ethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-bromo-4-(2-ethylphenyl)pyrrole-2,5-dione
PubChem CID71662302
Molecular FormulaC19H16BrNO2
Molecular Weight370.25 g/mol
Exact Mass369.04
IUPAC Name1-benzyl-3-bromo-4-(2-ethylphenyl)pyrrole-2,5-dione
SMILESCCc1ccccc1C1=C(Br)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C19H16BrNO2/c1-2-14-10-6-7-11-15(14)16-17(20)19(23)21(18(16)22)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyBHSAKMZUPYVADS-UHFFFAOYSA-N
XLogP3.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.92
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

1-benzyl-3-chloro-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110583813
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
2-[(4-propylphenyl)methyl]isoindole-1,3-dione
CID 118513791
1-benzyl-3-chloro-4-naphthalen-1-ylpyrrole-2,5-dione
CID 101463222
1-benzyl-2-(2-ethylphenyl)benzene
CID 20510866
1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110594470
2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione
CID 12958495
2-[[3-bromo-5-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]isoindole-1,3-dione
CID 15417918
1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110581977
2-benzyl-5,6-dimethoxyisoindole-1,3-dione
CID 91665603
N-(2,6-diethylphenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 31820336
1-benzyl-3-chloro-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110584853

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-bromo-4-(2-ethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-bromo-4-(2-ethylphenyl)pyrrole-2,5-dione (CID 71662302) is 1-benzyl-3-bromo-4-(2-ethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-bromo-4-(2-ethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-bromo-4-(2-ethylphenyl)pyrrole-2,5-dione is CCc1ccccc1C1=C(Br)C(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-bromo-4-(2-ethylphenyl)pyrrole-2,5-dione?
The InChIKey is BHSAKMZUPYVADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO2/c1-2-14-10-6-7-11-15(14)16-17(20)19(23)21(18(16)22)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of 1-benzyl-3-bromo-4-(2-ethylphenyl)pyrrole-2,5-dione?
1-benzyl-3-bromo-4-(2-ethylphenyl)pyrrole-2,5-dione has a molecular weight of 370.25 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-bromo-4-(2-ethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 71662302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).