1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione

C11H9ClFNO2 — CID 117062890

IUPAC1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C11H9ClFNO2/c1-6-4-10(15)14(11(6)16)7-2-3-9(13)8(12)5-7/h2-3,5-6H,4H2,1H3
InChIKeyGYNTWPWXOKOXLO-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.38
Rot. Bonds1

About 1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione

1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 117062890) has the molecular formula C11H9ClFNO2 and a molecular weight of 241.65 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione
PubChem CID117062890
Molecular FormulaC11H9ClFNO2
Molecular Weight241.65 g/mol
Exact Mass241.03
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C11H9ClFNO2/c1-6-4-10(15)14(11(6)16)7-2-3-9(13)8(12)5-7/h2-3,5-6H,4H2,1H3
InChIKeyGYNTWPWXOKOXLO-UHFFFAOYSA-N
XLogP2.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-3-methylpyrrolidine-2,5-dione
CID 71519662
(3R)-1-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione
CID 97350153
(3S)-1-(3-chloro-4-fluorophenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione
CID 6546833
(3S)-1-(3-chloro-4-fluorophenyl)-3-(4-oxopiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 7331357
(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 124672804
1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione
CID 55139506
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 45149279
3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione
CID 725181
1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
CID 91070786
1-(3-amino-4-ethylphenyl)-3-methylpyrrolidine-2,5-dione
CID 54905545
1-(3-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione
CID 61037815
1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione
CID 61036556

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione (CID 117062890) is 1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is GYNTWPWXOKOXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO2/c1-6-4-10(15)14(11(6)16)7-2-3-9(13)8(12)5-7/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione?
1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 241.65 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 117062890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).