1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione

C14H17ClN2O2 — CID 43638142

IUPAC1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2cccc(Cl)c2)C1=O
InChIInChI=1S/C14H17ClN2O2/c1-3-9(2)17-13(18)8-12(14(17)19)16-11-6-4-5-10(15)7-11/h4-7,9,12,16H,3,8H2,1-2H3
InChIKeyJUZIPZAIGHFMTD-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.68
Rot. Bonds4

About 1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione

1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione (PubChem CID 43638142) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
PubChem CID43638142
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2cccc(Cl)c2)C1=O
InChIInChI=1S/C14H17ClN2O2/c1-3-9(2)17-13(18)8-12(14(17)19)16-11-6-4-5-10(15)7-11/h4-7,9,12,16H,3,8H2,1-2H3
InChIKeyJUZIPZAIGHFMTD-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.68
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-(pyridin-3-ylamino)pyrrolidine-2,5-dione
CID 43638129
1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione
CID 43638292
3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107582972
3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637995
1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 60933145
1-butan-2-yl-3-(2,5-difluoroanilino)pyrrolidine-2,5-dione
CID 43638216
1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione
CID 107528066
3-(1,3-benzothiazol-6-ylamino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107804197
3-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]benzonitrile
CID 43637969
3-(3-bromo-2-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107633469
(3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 8933099
3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107598669

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione (CID 43638142) is 1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(Nc2cccc(Cl)c2)C1=O.
What is the InChIKey of 1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione?
The InChIKey is JUZIPZAIGHFMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-3-9(2)17-13(18)8-12(14(17)19)16-11-6-4-5-10(15)7-11/h4-7,9,12,16H,3,8H2,1-2H3.
What are the key properties of 1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione?
1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione has a molecular weight of 280.75 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43638142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).