3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione

C19H18BrNO2 — CID 3758336

IUPAC3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)CC(Cc3ccc(Br)cc3)C2=O)c1
InChIInChI=1S/C19H18BrNO2/c1-12-7-13(2)9-17(8-12)21-18(22)11-15(19(21)23)10-14-3-5-16(20)6-4-14/h3-9,15H,10-11H2,1-2H3
InChIKeyAUSXXWMMEQJRIO-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.19
Rot. Bonds3

About 3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione

3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 3758336) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione
PubChem CID3758336
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)CC(Cc3ccc(Br)cc3)C2=O)c1
InChIInChI=1S/C19H18BrNO2/c1-12-7-13(2)9-17(8-12)21-18(22)11-15(19(21)23)10-14-3-5-16(20)6-4-14/h3-9,15H,10-11H2,1-2H3
InChIKeyAUSXXWMMEQJRIO-UHFFFAOYSA-N
XLogP4.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.19
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

3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2910200
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
4-[(3R)-3-[(3,5-dimethylphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 822196
1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 2865163
(3S)-3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 774577
3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2850158
(3S)-3-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
CID 2002534
(3S)-3-benzyl-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 1331425
3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2868769
(3S)-1-(2-iodophenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 1369685
(3R)-3-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione
CID 1091337
(3S)-3-[(4-methylphenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione
CID 846261

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione (CID 3758336) is 3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione is Cc1cc(C)cc(N2C(=O)CC(Cc3ccc(Br)cc3)C2=O)c1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is AUSXXWMMEQJRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c1-12-7-13(2)9-17(8-12)21-18(22)11-15(19(21)23)10-14-3-5-16(20)6-4-14/h3-9,15H,10-11H2,1-2H3.
What are the key properties of 3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione?
3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 372.26 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3758336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).