1-(4-bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione

C13H15BrN2O2 — CID 44585372

IUPAC1-(4-bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H15BrN2O2/c1-3-13(2)8-11(17)16(12(13)18)15-10-6-4-9(14)5-7-10/h4-7,15H,3,8H2,1-2H3
InChIKeyRINRXHUFVMHVFI-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.95
Rot. Bonds3

About 1-(4-bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione

1-(4-bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione (PubChem CID 44585372) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-(4-bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione
PubChem CID44585372
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-(4-bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H15BrN2O2/c1-3-13(2)8-11(17)16(12(13)18)15-10-6-4-9(14)5-7-10/h4-7,15H,3,8H2,1-2H3
InChIKeyRINRXHUFVMHVFI-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione
CID 44585357
3-(4-bromoanilino)-1,3-oxazolidin-2-one
CID 134332107
N-(4-bromophenyl)ethanesulfinamide
CID 131021409
3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 1421774
1-(4-bromophenyl)-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 64962399
1-(4-bromophenyl)-3-(2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl)urea
CID 20897558
3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one
CID 3057291
1-[4-(2-aminoethyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-3-(4-bromophenyl)urea
CID 122684826
(5R)-3-anilino-5-(4-bromophenyl)-5-methyl-2-methylsulfanylimidazol-4-one
CID 67801127
methyl 4-[[2-[(3S)-3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]acetyl]amino]benzoate
CID 95788796
2-(4-bromophenyl)-1-ethylcyclopropan-1-amine
CID 84701862
3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione
CID 43155337

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione (CID 44585372) is 1-(4-bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione is CCC1(C)CC(=O)N(Nc2ccc(Br)cc2)C1=O.
What is the InChIKey of 1-(4-bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione?
The InChIKey is RINRXHUFVMHVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-3-13(2)8-11(17)16(12(13)18)15-10-6-4-9(14)5-7-10/h4-7,15H,3,8H2,1-2H3.
What are the key properties of 1-(4-bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione?
1-(4-bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione has a molecular weight of 311.18 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 44585372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).