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

C14H17BrN2O2 — CID 2856358

IUPAC1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione
SMILESCC(C)(C)NC1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-14(2,3)16-11-8-12(18)17(13(11)19)10-6-4-9(15)5-7-10/h4-7,11,16H,8H2,1-3H3
InChIKeyRSPQJXUORQQYDD-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.47
Rot. Bonds2

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

1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione (PubChem CID 2856358) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione
PubChem CID2856358
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione
SMILESCC(C)(C)NC1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-14(2,3)16-11-8-12(18)17(13(11)19)10-6-4-9(15)5-7-10/h4-7,11,16H,8H2,1-3H3
InChIKeyRSPQJXUORQQYDD-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.47
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

3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 71669968
(3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione
CID 97290155
(3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione
CID 706670
(3S)-1-(4-bromophenyl)-3-(4-chloroanilino)pyrrolidine-2,5-dione
CID 1116618
(3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 31274782
(3R)-1-(4-bromophenyl)-3-(dodecylamino)pyrrolidine-2,5-dione
CID 98066333
(3S)-3-(4-bromoanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860132
methyl 2-[[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 710148
2-[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylpropanal
CID 71725303
(3S)-1-(4-bromophenyl)-3-(4-hydroxybutylamino)pyrrolidine-2,5-dione
CID 7298446
N'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide
CID 1120045
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide
CID 23942980

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione (CID 2856358) is 1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione is CC(C)(C)NC1CC(=O)N(c2ccc(Br)cc2)C1=O.
What is the InChIKey of 1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione?
The InChIKey is RSPQJXUORQQYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-14(2,3)16-11-8-12(18)17(13(11)19)10-6-4-9(15)5-7-10/h4-7,11,16H,8H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione?
1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione has a molecular weight of 325.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2856358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).