4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one

C11H14FN3O2 — CID 106183235

IUPAC4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one
SMILESCOc1cc(NC2CNC(=O)C2)c(F)cc1N
InChIInChI=1S/C11H14FN3O2/c1-17-10-4-9(7(12)3-8(10)13)15-6-2-11(16)14-5-6/h3-4,6,15H,2,5,13H2,1H3,(H,14,16)
InChIKeyZTXHUFFLECYIDX-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.72
Rot. Bonds3

About 4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one

4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one (PubChem CID 106183235) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one
PubChem CID106183235
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one
SMILESCOc1cc(NC2CNC(=O)C2)c(F)cc1N
InChIInChI=1S/C11H14FN3O2/c1-17-10-4-9(7(12)3-8(10)13)15-6-2-11(16)14-5-6/h3-4,6,15H,2,5,13H2,1H3,(H,14,16)
InChIKeyZTXHUFFLECYIDX-UHFFFAOYSA-N
XLogP0.72
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one 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

4-(2-amino-4,5-dimethoxyanilino)pyrrolidin-2-one
CID 114155142
4-(2-amino-5-chloro-4-fluoroanilino)pyrrolidin-2-one
CID 106183056
4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one
CID 106183031
4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one
CID 106183183
4-(3-amino-5-methoxyanilino)pyrrolidin-2-one
CID 106183164
2-fluoro-5-methoxy-1-N-(1-methylpiperidin-3-yl)benzene-1,4-diamine
CID 107258883
5-(4-amino-3-methoxyanilino)piperidin-2-one
CID 63675556
4-(4-amino-2-methylanilino)pyrrolidin-2-one
CID 106183059
3-amino-4-[(5-oxopyrrolidin-3-yl)amino]benzonitrile
CID 106182837
1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259325
4-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pyrrolidin-2-one
CID 114155126
1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259328

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one?
The IUPAC name of 4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one (CID 106183235) is 4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one?
The canonical SMILES for 4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one is COc1cc(NC2CNC(=O)C2)c(F)cc1N.
What is the InChIKey of 4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one?
The InChIKey is ZTXHUFFLECYIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-17-10-4-9(7(12)3-8(10)13)15-6-2-11(16)14-5-6/h3-4,6,15H,2,5,13H2,1H3,(H,14,16).
What are the key properties of 4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one?
4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one has a molecular weight of 239.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one is sourced from PubChem (CID 106183235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).