3-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanamide

C14H15BrN2O3 — CID 51108201

IUPAC3-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanamide
SMILESCC1(c2ccc(Br)cc2)CC(=O)N(CCC(N)=O)C1=O
InChIInChI=1S/C14H15BrN2O3/c1-14(9-2-4-10(15)5-3-9)8-12(19)17(13(14)20)7-6-11(16)18/h2-5H,6-8H2,1H3,(H2,16,18)
InChIKeyXTYBVMCZVWNCHR-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.34
Rot. Bonds4

About 3-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanamide

3-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanamide (PubChem CID 51108201) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanamide
PubChem CID51108201
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name3-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanamide
SMILESCC1(c2ccc(Br)cc2)CC(=O)N(CCC(N)=O)C1=O
InChIInChI=1S/C14H15BrN2O3/c1-14(9-2-4-10(15)5-3-9)8-12(19)17(13(14)20)7-6-11(16)18/h2-5H,6-8H2,1H3,(H2,16,18)
InChIKeyXTYBVMCZVWNCHR-UHFFFAOYSA-N
XLogP1.34
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.34
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-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanamide?
The IUPAC name of 3-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanamide (CID 51108201) is 3-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for 3-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanamide?
The canonical SMILES for 3-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanamide is CC1(c2ccc(Br)cc2)CC(=O)N(CCC(N)=O)C1=O.
What is the InChIKey of 3-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanamide?
The InChIKey is XTYBVMCZVWNCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-14(9-2-4-10(15)5-3-9)8-12(19)17(13(14)20)7-6-11(16)18/h2-5H,6-8H2,1H3,(H2,16,18).
What are the key properties of 3-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanamide?
3-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanamide has a molecular weight of 339.19 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 51108201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).