3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione

C15H19BrN2O2 — CID 107582972

IUPAC3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2cc(C)cc(Br)c2)C1=O
InChIInChI=1S/C15H19BrN2O2/c1-4-10(3)18-14(19)8-13(15(18)20)17-12-6-9(2)5-11(16)7-12/h5-7,10,13,17H,4,8H2,1-3H3
InChIKeyYBORIAXEGQDRHK-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.10
Rot. Bonds4

About 3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione

3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione (PubChem CID 107582972) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione
PubChem CID107582972
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2cc(C)cc(Br)c2)C1=O
InChIInChI=1S/C15H19BrN2O2/c1-4-10(3)18-14(19)8-13(15(18)20)17-12-6-9(2)5-11(16)7-12/h5-7,10,13,17H,4,8H2,1-3H3
InChIKeyYBORIAXEGQDRHK-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.10
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-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 43638142
1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione
CID 43638134
1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione
CID 43638252
1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione
CID 43638292
1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 60933145
1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione
CID 43638129
3-(1,3-benzothiazol-6-ylamino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107804197
3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione
CID 60779664
3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107598669
1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione
CID 107528066
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-6-methylbenzonitrile
CID 107804189
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide
CID 54950819

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione (CID 107582972) is 3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(Nc2cc(C)cc(Br)c2)C1=O.
What is the InChIKey of 3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione?
The InChIKey is YBORIAXEGQDRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-4-10(3)18-14(19)8-13(15(18)20)17-12-6-9(2)5-11(16)7-12/h5-7,10,13,17H,4,8H2,1-3H3.
What are the key properties of 3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione?
3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione has a molecular weight of 339.23 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 107582972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).