4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione

C16H13FN2O3 — CID 2092383

IUPAC4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(CCOc1ccccc1F)C2=O
InChIInChI=1S/C16H13FN2O3/c17-11-5-1-2-7-13(11)22-9-8-19-15(20)10-4-3-6-12(18)14(10)16(19)21/h1-7H,8-9,18H2
InChIKeyILAVPZWPAIWSBL-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.08
Rot. Bonds4

About 4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione

4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione (PubChem CID 2092383) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione
PubChem CID2092383
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(CCOc1ccccc1F)C2=O
InChIInChI=1S/C16H13FN2O3/c17-11-5-1-2-7-13(11)22-9-8-19-15(20)10-4-3-6-12(18)14(10)16(19)21/h1-7H,8-9,18H2
InChIKeyILAVPZWPAIWSBL-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione?
The IUPAC name of 4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione (CID 2092383) is 4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione is Nc1cccc2c1C(=O)N(CCOc1ccccc1F)C2=O.
What is the InChIKey of 4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione?
The InChIKey is ILAVPZWPAIWSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c17-11-5-1-2-7-13(11)22-9-8-19-15(20)10-4-3-6-12(18)14(10)16(19)21/h1-7H,8-9,18H2.
What are the key properties of 4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione?
4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione has a molecular weight of 300.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 2092383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).