2-(4-aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione

C16H13FN2O3 — CID 25271539

IUPAC2-(4-aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione
SMILESNc1ccc(N2C(=O)c3ccc(OCCF)cc3C2=O)cc1
InChIInChI=1S/C16H13FN2O3/c17-7-8-22-12-5-6-13-14(9-12)16(21)19(15(13)20)11-3-1-10(18)2-4-11/h1-6,9H,7-8,18H2
InChIKeyOBKMGSCABSKABR-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.42
Rot. Bonds4

About 2-(4-aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione

2-(4-aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione (PubChem CID 25271539) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-(4-aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione
PubChem CID25271539
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name2-(4-aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione
SMILESNc1ccc(N2C(=O)c3ccc(OCCF)cc3C2=O)cc1
InChIInChI=1S/C16H13FN2O3/c17-7-8-22-12-5-6-13-14(9-12)16(21)19(15(13)20)11-3-1-10(18)2-4-11/h1-6,9H,7-8,18H2
InChIKeyOBKMGSCABSKABR-UHFFFAOYSA-N
XLogP2.42
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione?
The IUPAC name of 2-(4-aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione (CID 25271539) is 2-(4-aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(4-aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione is Nc1ccc(N2C(=O)c3ccc(OCCF)cc3C2=O)cc1.
What is the InChIKey of 2-(4-aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione?
The InChIKey is OBKMGSCABSKABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c17-7-8-22-12-5-6-13-14(9-12)16(21)19(15(13)20)11-3-1-10(18)2-4-11/h1-6,9H,7-8,18H2.
What are the key properties of 2-(4-aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione?
2-(4-aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione has a molecular weight of 300.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione is sourced from PubChem (CID 25271539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).