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

C14H16ClFN2O2 — CID 107528066

IUPAC1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2cc(F)ccc2Cl)C1=O
InChIInChI=1S/C14H16ClFN2O2/c1-3-8(2)18-13(19)7-12(14(18)20)17-11-6-9(16)4-5-10(11)15/h4-6,8,12,17H,3,7H2,1-2H3
InChIKeyPENPMNVLLZWWDU-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.82
Rot. Bonds4

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

1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione (PubChem CID 107528066) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.75 g/mol. Its IUPAC name is 1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione
PubChem CID107528066
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.75 g/mol
Exact Mass298.09
IUPAC Name1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2cc(F)ccc2Cl)C1=O
InChIInChI=1S/C14H16ClFN2O2/c1-3-8(2)18-13(19)7-12(14(18)20)17-11-6-9(16)4-5-10(11)15/h4-6,8,12,17H,3,7H2,1-2H3
InChIKeyPENPMNVLLZWWDU-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.82
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-(2,5-difluoroanilino)pyrrolidine-2,5-dione
CID 43638216
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-5-fluorobenzonitrile
CID 82016968
1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione
CID 43638252
1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 43638142
1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione
CID 43638292
3-(3-bromo-2-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107633469
3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107598669
1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione
CID 43638129
1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione
CID 43638134
4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one
CID 107527411
3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636396
1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 60933145

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione (CID 107528066) is 1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(Nc2cc(F)ccc2Cl)C1=O.
What is the InChIKey of 1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione?
The InChIKey is PENPMNVLLZWWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c1-3-8(2)18-13(19)7-12(14(18)20)17-11-6-9(16)4-5-10(11)15/h4-6,8,12,17H,3,7H2,1-2H3.
What are the key properties of 1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione?
1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione has a molecular weight of 298.75 g/mol, XLogP of 2.82, 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-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 107528066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).