3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione

C12H13FN2O2 — CID 79055313

IUPAC3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione
SMILESCc1cc(F)cc(NC2CC(=O)N(C)C2=O)c1
InChIInChI=1S/C12H13FN2O2/c1-7-3-8(13)5-9(4-7)14-10-6-11(16)15(2)12(10)17/h3-5,10,14H,6H2,1-2H3
InChIKeyCKBUZRXSGOONPI-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.30
Rot. Bonds2

About 3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione

3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione (PubChem CID 79055313) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione
PubChem CID79055313
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione
SMILESCc1cc(F)cc(NC2CC(=O)N(C)C2=O)c1
InChIInChI=1S/C12H13FN2O2/c1-7-3-8(13)5-9(4-7)14-10-6-11(16)15(2)12(10)17/h3-5,10,14H,6H2,1-2H3
InChIKeyCKBUZRXSGOONPI-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.30
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

(3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione
CID 51511443
3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 107364701
3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione
CID 114839205
3-(3-fluoro-4-pyrrolidin-1-ylanilino)-1-methylpyrrolidine-2,5-dione
CID 60933745
(3S)-3-(3,5-difluoroanilino)-1-methylpyrrolidin-2-one
CID 129369948
4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzoic acid
CID 23009320
3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 78665094
3-(3,4-dihydro-1H-isochromen-6-ylamino)-1-methylpyrrolidine-2,5-dione
CID 167968882
3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 43844516
3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 114452960
3-(4-chloro-2-methylanilino)-1-methylpyrrolidine-2,5-dione
CID 43411403
3-(4-bromo-5-fluoro-2-nitroanilino)-1-methylpyrrolidine-2,5-dione
CID 66112047

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione (CID 79055313) is 3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione is Cc1cc(F)cc(NC2CC(=O)N(C)C2=O)c1.
What is the InChIKey of 3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione?
The InChIKey is CKBUZRXSGOONPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-7-3-8(13)5-9(4-7)14-10-6-11(16)15(2)12(10)17/h3-5,10,14H,6H2,1-2H3.
What are the key properties of 3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione?
3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione has a molecular weight of 236.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 79055313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).