1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione

C13H15FN2O2 — CID 107347713

IUPAC1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(Cc2cccc(N)c2F)C1=O
InChIInChI=1S/C13H15FN2O2/c1-13(2)6-10(17)16(12(13)18)7-8-4-3-5-9(15)11(8)14/h3-5H,6-7,15H2,1-2H3
InChIKeyPHHMQZRLAMPZAI-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.69
Rot. Bonds2

About 1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione

1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 107347713) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID107347713
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(Cc2cccc(N)c2F)C1=O
InChIInChI=1S/C13H15FN2O2/c1-13(2)6-10(17)16(12(13)18)7-8-4-3-5-9(15)11(8)14/h3-5H,6-7,15H2,1-2H3
InChIKeyPHHMQZRLAMPZAI-UHFFFAOYSA-N
XLogP1.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.69
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-[(3-amino-2-fluorophenyl)methyl]-3,3-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

3-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107115896
1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 117060733
1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301903
2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 107347604
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 79531067
1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65297333
1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66068262
1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one
CID 107347649
1-[(3-amino-2-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 114081797
2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-1,3-dione
CID 107347785
1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 65298123
3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 65298014

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione (CID 107347713) is 1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(Cc2cccc(N)c2F)C1=O.
What is the InChIKey of 1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is PHHMQZRLAMPZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-13(2)6-10(17)16(12(13)18)7-8-4-3-5-9(15)11(8)14/h3-5H,6-7,15H2,1-2H3.
What are the key properties of 1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 250.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 107347713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).