3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione

C15H19BrN2O2 — CID 60779664

IUPAC3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NCc2ccc(Br)cc2)C1=O
InChIInChI=1S/C15H19BrN2O2/c1-3-10(2)18-14(19)8-13(15(18)20)17-9-11-4-6-12(16)7-5-11/h4-7,10,13,17H,3,8-9H2,1-2H3
InChIKeyWGVUYNUGNIGLJV-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.46
Rot. Bonds5

About 3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione

3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione (PubChem CID 60779664) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione
PubChem CID60779664
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NCc2ccc(Br)cc2)C1=O
InChIInChI=1S/C15H19BrN2O2/c1-3-10(2)18-14(19)8-13(15(18)20)17-9-11-4-6-12(16)7-5-11/h4-7,10,13,17H,3,8-9H2,1-2H3
InChIKeyWGVUYNUGNIGLJV-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione (CID 60779664) is 3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(NCc2ccc(Br)cc2)C1=O.
What is the InChIKey of 3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione?
The InChIKey is WGVUYNUGNIGLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-3-10(2)18-14(19)8-13(15(18)20)17-9-11-4-6-12(16)7-5-11/h4-7,10,13,17H,3,8-9H2,1-2H3.
What are the key properties of 3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione?
3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione has a molecular weight of 339.23 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 60779664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).