1-(4-bromoanilino)-3,3-diethylpyrrolidine-2,5-dione

C14H17BrN2O2 — CID 44585408

IUPAC1-(4-bromoanilino)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-3-14(4-2)9-12(18)17(13(14)19)16-11-7-5-10(15)6-8-11/h5-8,16H,3-4,9H2,1-2H3
InChIKeyWIRJSAOFFONUDE-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.34
Rot. Bonds4

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

1-(4-bromoanilino)-3,3-diethylpyrrolidine-2,5-dione (PubChem CID 44585408) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(4-bromoanilino)-3,3-diethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromoanilino)-3,3-diethylpyrrolidine-2,5-dione
PubChem CID44585408
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(4-bromoanilino)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-3-14(4-2)9-12(18)17(13(14)19)16-11-7-5-10(15)6-8-11/h5-8,16H,3-4,9H2,1-2H3
InChIKeyWIRJSAOFFONUDE-UHFFFAOYSA-N
XLogP3.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.34
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

2-(4-Bromoanilino)-2-azaspiro[4.5]decane-1,3-dione
CID 24795431
2-(4-Bromoanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione
CID 24795432
2-(4-Bromoanilino)-2-azaspiro[4.4]nonane-1,3-dione
CID 24795436
1-Anilino-3,3-dimethylpyrrolidine-2,5-dione
CID 264240
2-Azaspiro[4.4]nonane-1,3-dione, 2-(phenylamino)-
CID 11368541
3,3-Dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione
CID 44576473
1-(4-Bromoanilino)-3,3-dimethylpyrrolidine-2,5-dione
CID 44585353
1-Anilino-3-ethyl-3-methylpyrrolidine-2,5-dione
CID 44585354
3-Ethyl-3-methyl-1-(2-methylanilino)pyrrolidine-2,5-dione
CID 44585355
3-Ethyl-3-methyl-1-(4-methylanilino)pyrrolidine-2,5-dione
CID 44585356
1-(4-Bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione
CID 44585372
1-(4-Bromoanilino)-3-methyl-3-propylpyrrolidine-2,5-dione
CID 44585386

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromoanilino)-3,3-diethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-bromoanilino)-3,3-diethylpyrrolidine-2,5-dione (CID 44585408) is 1-(4-bromoanilino)-3,3-diethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-bromoanilino)-3,3-diethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-bromoanilino)-3,3-diethylpyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(Nc2ccc(Br)cc2)C1=O.
What is the InChIKey of 1-(4-bromoanilino)-3,3-diethylpyrrolidine-2,5-dione?
The InChIKey is WIRJSAOFFONUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-14(4-2)9-12(18)17(13(14)19)16-11-7-5-10(15)6-8-11/h5-8,16H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-bromoanilino)-3,3-diethylpyrrolidine-2,5-dione?
1-(4-bromoanilino)-3,3-diethylpyrrolidine-2,5-dione has a molecular weight of 325.21 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromoanilino)-3,3-diethylpyrrolidine-2,5-dione is sourced from PubChem (CID 44585408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).