1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione

C12H13FN2O2 — CID 103499448

IUPAC1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(c2ccc(F)cc2N)C(=O)C1C
InChIInChI=1S/C12H13FN2O2/c1-6-7(2)12(17)15(11(6)16)10-4-3-8(13)5-9(10)14/h3-7H,14H2,1-2H3
InChIKeyWAQGNOCRBLXQDU-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.55
Rot. Bonds1

About 1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione

1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 103499448) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID103499448
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(c2ccc(F)cc2N)C(=O)C1C
InChIInChI=1S/C12H13FN2O2/c1-6-7(2)12(17)15(11(6)16)10-4-3-8(13)5-9(10)14/h3-7H,14H2,1-2H3
InChIKeyWAQGNOCRBLXQDU-UHFFFAOYSA-N
XLogP1.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-5-fluorobenzoic acid
CID 103499583
2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline
CID 79189175
1-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 103500812
1-(2-amino-5-fluorophenyl)-3-methylpyrrolidine-2,5-dione
CID 63257947
1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437281
(3aS,7aR)-2-(2-amino-5-fluorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 104963234
1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol
CID 106667409
4-(2-amino-4-fluorophenyl)-3,3-dimethylpiperazin-2-one
CID 63596156
2-(2-amino-4-hydroxyphenyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 107698076
2-(3-ethylazetidin-1-yl)-5-fluoroaniline
CID 79689428
3-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 43402830
(1R,2S)-4-(2,4-difluorophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
CID 34365725

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione (CID 103499448) is 1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(c2ccc(F)cc2N)C(=O)C1C.
What is the InChIKey of 1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is WAQGNOCRBLXQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-6-7(2)12(17)15(11(6)16)10-4-3-8(13)5-9(10)14/h3-7H,14H2,1-2H3.
What are the key properties of 1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 236.25 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 103499448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).