3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione

C13H14ClFN2O2 — CID 107364701

IUPAC3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2cc(F)cc(Cl)c2)C1=O
InChIInChI=1S/C13H14ClFN2O2/c1-7(2)17-12(18)6-11(13(17)19)16-10-4-8(14)3-9(15)5-10/h3-5,7,11,16H,6H2,1-2H3
InChIKeyXWANXOQHVNNGHL-UHFFFAOYSA-N
MW284.72 g/mol
LogP2.43
Rot. Bonds3

About 3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione

3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 107364701) has the molecular formula C13H14ClFN2O2 and a molecular weight of 284.72 g/mol. Its IUPAC name is 3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID107364701
Molecular FormulaC13H14ClFN2O2
Molecular Weight284.72 g/mol
Exact Mass284.07
IUPAC Name3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2cc(F)cc(Cl)c2)C1=O
InChIInChI=1S/C13H14ClFN2O2/c1-7(2)17-12(18)6-11(13(17)19)16-10-4-8(14)3-9(15)5-10/h3-5,7,11,16H,6H2,1-2H3
InChIKeyXWANXOQHVNNGHL-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 52.43
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-(3-bromo-4-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 104776646
1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
CID 43636471
3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636396
3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 71970963
3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione
CID 79055313
3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636637
3-(3-methylsulfanylanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636337
1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 43636390
3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636447
1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 43638142
3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 60934332
3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636840

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione (CID 107364701) is 3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)CC(Nc2cc(F)cc(Cl)c2)C1=O.
What is the InChIKey of 3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is XWANXOQHVNNGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2/c1-7(2)17-12(18)6-11(13(17)19)16-10-4-8(14)3-9(15)5-10/h3-5,7,11,16H,6H2,1-2H3.
What are the key properties of 3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 284.72 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 107364701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).