2-[(4-chloro-2-fluoro-3-phenyl-1,2,4-oxadiazolidin-5-yl)methoxy]isoindole-1,3-dione

C17H13ClFN3O4 — CID 175467828

IUPAC2-[(4-chloro-2-fluoro-3-phenyl-1,2,4-oxadiazolidin-5-yl)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCC1ON(F)C(c2ccccc2)N1Cl
InChIInChI=1S/C17H13ClFN3O4/c18-20-14(26-22(19)15(20)11-6-2-1-3-7-11)10-25-21-16(23)12-8-4-5-9-13(12)17(21)24/h1-9,14-15H,10H2
InChIKeyHOSWQMWEFOJDTL-UHFFFAOYSA-N
MW377.76 g/mol
LogP2.83
Rot. Bonds4

About 2-[(4-chloro-2-fluoro-3-phenyl-1,2,4-oxadiazolidin-5-yl)methoxy]isoindole-1,3-dione

2-[(4-chloro-2-fluoro-3-phenyl-1,2,4-oxadiazolidin-5-yl)methoxy]isoindole-1,3-dione (PubChem CID 175467828) has the molecular formula C17H13ClFN3O4 and a molecular weight of 377.76 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluoro-3-phenyl-1,2,4-oxadiazolidin-5-yl)methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-chloro-2-fluoro-3-phenyl-1,2,4-oxadiazolidin-5-yl)methoxy]isoindole-1,3-dione
PubChem CID175467828
Molecular FormulaC17H13ClFN3O4
Molecular Weight377.76 g/mol
Exact Mass377.06
IUPAC Name2-[(4-chloro-2-fluoro-3-phenyl-1,2,4-oxadiazolidin-5-yl)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCC1ON(F)C(c2ccccc2)N1Cl
InChIInChI=1S/C17H13ClFN3O4/c18-20-14(26-22(19)15(20)11-6-2-1-3-7-11)10-25-21-16(23)12-8-4-5-9-13(12)17(21)24/h1-9,14-15H,10H2
InChIKeyHOSWQMWEFOJDTL-UHFFFAOYSA-N
XLogP2.83
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.76
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluoro-3-phenyl-1,2,4-oxadiazolidin-5-yl)methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(4-chloro-2-fluoro-3-phenyl-1,2,4-oxadiazolidin-5-yl)methoxy]isoindole-1,3-dione (CID 175467828) is 2-[(4-chloro-2-fluoro-3-phenyl-1,2,4-oxadiazolidin-5-yl)methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-chloro-2-fluoro-3-phenyl-1,2,4-oxadiazolidin-5-yl)methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-chloro-2-fluoro-3-phenyl-1,2,4-oxadiazolidin-5-yl)methoxy]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OCC1ON(F)C(c2ccccc2)N1Cl.
What is the InChIKey of 2-[(4-chloro-2-fluoro-3-phenyl-1,2,4-oxadiazolidin-5-yl)methoxy]isoindole-1,3-dione?
The InChIKey is HOSWQMWEFOJDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O4/c18-20-14(26-22(19)15(20)11-6-2-1-3-7-11)10-25-21-16(23)12-8-4-5-9-13(12)17(21)24/h1-9,14-15H,10H2.
What are the key properties of 2-[(4-chloro-2-fluoro-3-phenyl-1,2,4-oxadiazolidin-5-yl)methoxy]isoindole-1,3-dione?
2-[(4-chloro-2-fluoro-3-phenyl-1,2,4-oxadiazolidin-5-yl)methoxy]isoindole-1,3-dione has a molecular weight of 377.76 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluoro-3-phenyl-1,2,4-oxadiazolidin-5-yl)methoxy]isoindole-1,3-dione is sourced from PubChem (CID 175467828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).