3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione

C11H9ClFNO2 — CID 106695025

IUPAC3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(F)cc1C1C(=O)NC(=O)C1Cl
InChIInChI=1S/C11H9ClFNO2/c1-5-2-3-6(13)4-7(5)8-9(12)11(16)14-10(8)15/h2-4,8-9H,1H3,(H,14,15,16)
InChIKeyKWANPSJFHRUDCG-UHFFFAOYSA-N
MW241.65 g/mol
LogP1.48
Rot. Bonds1

About 3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione

3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 106695025) has the molecular formula C11H9ClFNO2 and a molecular weight of 241.65 g/mol. Its IUPAC name is 3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione
PubChem CID106695025
Molecular FormulaC11H9ClFNO2
Molecular Weight241.65 g/mol
Exact Mass241.03
IUPAC Name3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(F)cc1C1C(=O)NC(=O)C1Cl
InChIInChI=1S/C11H9ClFNO2/c1-5-2-3-6(13)4-7(5)8-9(12)11(16)14-10(8)15/h2-4,8-9H,1H3,(H,14,15,16)
InChIKeyKWANPSJFHRUDCG-UHFFFAOYSA-N
XLogP1.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione
CID 106695023
3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 106695027
3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione
CID 106695138
3-(4-bromo-3-methylphenyl)-4-chloropyrrolidine-2,5-dione
CID 106694895
5-fluoro-3-(5-fluoro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43195478
6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione
CID 14612226
3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione
CID 106695184
(4S)-5,5-difluoro-4-(5-fluoro-2-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171186566
3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione
CID 106694928
3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 106694890
5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986680
3-chloro-4-(4-iodophenyl)pyrrolidine-2,5-dione
CID 106695059

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione (CID 106695025) is 3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(F)cc1C1C(=O)NC(=O)C1Cl.
What is the InChIKey of 3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is KWANPSJFHRUDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO2/c1-5-2-3-6(13)4-7(5)8-9(12)11(16)14-10(8)15/h2-4,8-9H,1H3,(H,14,15,16).
What are the key properties of 3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione?
3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 241.65 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 106695025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).