1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione

C14H17BrN2O2 — CID 2841262

IUPAC1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione
SMILESCCN(CC)C1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-3-16(4-2)12-9-13(18)17(14(12)19)11-7-5-10(15)6-8-11/h5-8,12H,3-4,9H2,1-2H3
InChIKeyUIEKOKIAENKGCG-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.42
Rot. Bonds4

About 1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione

1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione (PubChem CID 2841262) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione
PubChem CID2841262
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione
SMILESCCN(CC)C1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-3-16(4-2)12-9-13(18)17(14(12)19)11-7-5-10(15)6-8-11/h5-8,12H,3-4,9H2,1-2H3
InChIKeyUIEKOKIAENKGCG-UHFFFAOYSA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
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 1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione (CID 2841262) is 1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione is CCN(CC)C1CC(=O)N(c2ccc(Br)cc2)C1=O.
What is the InChIKey of 1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione?
The InChIKey is UIEKOKIAENKGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-16(4-2)12-9-13(18)17(14(12)19)11-7-5-10(15)6-8-11/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione?
1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione has a molecular weight of 325.21 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2841262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).