2-[2-[2-(2-fluorobenzoyl)-4-nitrophenoxy]ethyl]isoindole-1,3-dione

C23H15FN2O6 — CID 22760038

IUPAC2-[2-[2-(2-fluorobenzoyl)-4-nitrophenoxy]ethyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1F)c1cc([N+](=O)[O-])ccc1OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H15FN2O6/c24-19-8-4-3-7-17(19)21(27)18-13-14(26(30)31)9-10-20(18)32-12-11-25-22(28)15-5-1-2-6-16(15)23(25)29/h1-10,13H,11-12H2
InChIKeyZTSNWQVRNXOTDO-UHFFFAOYSA-N
MW434.38 g/mol
LogP3.64
Rot. Bonds7

About 2-[2-[2-(2-fluorobenzoyl)-4-nitrophenoxy]ethyl]isoindole-1,3-dione

2-[2-[2-(2-fluorobenzoyl)-4-nitrophenoxy]ethyl]isoindole-1,3-dione (PubChem CID 22760038) has the molecular formula C23H15FN2O6 and a molecular weight of 434.38 g/mol. Its IUPAC name is 2-[2-[2-(2-fluorobenzoyl)-4-nitrophenoxy]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-(2-fluorobenzoyl)-4-nitrophenoxy]ethyl]isoindole-1,3-dione
PubChem CID22760038
Molecular FormulaC23H15FN2O6
Molecular Weight434.38 g/mol
Exact Mass434.09
IUPAC Name2-[2-[2-(2-fluorobenzoyl)-4-nitrophenoxy]ethyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1F)c1cc([N+](=O)[O-])ccc1OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H15FN2O6/c24-19-8-4-3-7-17(19)21(27)18-13-14(26(30)31)9-10-20(18)32-12-11-25-22(28)15-5-1-2-6-16(15)23(25)29/h1-10,13H,11-12H2
InChIKeyZTSNWQVRNXOTDO-UHFFFAOYSA-N
XLogP3.64
TPSA106.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-fluorobenzoyl)-4-nitrophenoxy]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-(2-fluorobenzoyl)-4-nitrophenoxy]ethyl]isoindole-1,3-dione (CID 22760038) is 2-[2-[2-(2-fluorobenzoyl)-4-nitrophenoxy]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-(2-fluorobenzoyl)-4-nitrophenoxy]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-(2-fluorobenzoyl)-4-nitrophenoxy]ethyl]isoindole-1,3-dione is O=C(c1ccccc1F)c1cc([N+](=O)[O-])ccc1OCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[2-(2-fluorobenzoyl)-4-nitrophenoxy]ethyl]isoindole-1,3-dione?
The InChIKey is ZTSNWQVRNXOTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN2O6/c24-19-8-4-3-7-17(19)21(27)18-13-14(26(30)31)9-10-20(18)32-12-11-25-22(28)15-5-1-2-6-16(15)23(25)29/h1-10,13H,11-12H2.
What are the key properties of 2-[2-[2-(2-fluorobenzoyl)-4-nitrophenoxy]ethyl]isoindole-1,3-dione?
2-[2-[2-(2-fluorobenzoyl)-4-nitrophenoxy]ethyl]isoindole-1,3-dione has a molecular weight of 434.38 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-fluorobenzoyl)-4-nitrophenoxy]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 22760038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).