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

C18H16BrNO2 — CID 2865488

IUPAC1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc(Br)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H16BrNO2/c19-16-8-6-13(7-9-16)10-15-11-17(21)20(18(15)22)12-14-4-2-1-3-5-14/h1-9,15H,10-12H2
InChIKeyRIRLSDRSPDZBEY-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.57
Rot. Bonds4

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

1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 2865488) has the molecular formula C18H16BrNO2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine-2,5-dione
PubChem CID2865488
Molecular FormulaC18H16BrNO2
Molecular Weight358.24 g/mol
Exact Mass357.04
IUPAC Name1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc(Br)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H16BrNO2/c19-16-8-6-13(7-9-16)10-15-11-17(21)20(18(15)22)12-14-4-2-1-3-5-14/h1-9,15H,10-12H2
InChIKeyRIRLSDRSPDZBEY-UHFFFAOYSA-N
XLogP3.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine-2,5-dione (CID 2865488) is 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine-2,5-dione is O=C1CC(Cc2ccc(Br)cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is RIRLSDRSPDZBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO2/c19-16-8-6-13(7-9-16)10-15-11-17(21)20(18(15)22)12-14-4-2-1-3-5-14/h1-9,15H,10-12H2.
What are the key properties of 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine-2,5-dione?
1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 358.24 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2865488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).