2-[(2R)-3-(4-fluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione

C17H15FN2O3 — CID 177164418

IUPAC2-[(2R)-3-(4-fluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@H](O)CNc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3/c18-11-5-7-12(8-6-11)19-9-13(21)10-20-16(22)14-3-1-2-4-15(14)17(20)23/h1-8,13,19,21H,9-10H2/t13-/m1/s1
InChIKeyBPORDFGDIXUMDE-CYBMUJFWSA-N
MW314.32 g/mol
LogP1.89
Rot. Bonds5

About 2-[(2R)-3-(4-fluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione

2-[(2R)-3-(4-fluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione (PubChem CID 177164418) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-[(2R)-3-(4-fluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-3-(4-fluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione
PubChem CID177164418
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name2-[(2R)-3-(4-fluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@H](O)CNc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3/c18-11-5-7-12(8-6-11)19-9-13(21)10-20-16(22)14-3-1-2-4-15(14)17(20)23/h1-8,13,19,21H,9-10H2/t13-/m1/s1
InChIKeyBPORDFGDIXUMDE-CYBMUJFWSA-N
XLogP1.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-(4-fluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R)-3-(4-fluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione (CID 177164418) is 2-[(2R)-3-(4-fluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R)-3-(4-fluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R)-3-(4-fluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C[C@H](O)CNc1ccc(F)cc1.
What is the InChIKey of 2-[(2R)-3-(4-fluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione?
The InChIKey is BPORDFGDIXUMDE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H15FN2O3/c18-11-5-7-12(8-6-11)19-9-13(21)10-20-16(22)14-3-1-2-4-15(14)17(20)23/h1-8,13,19,21H,9-10H2/t13-/m1/s1.
What are the key properties of 2-[(2R)-3-(4-fluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione?
2-[(2R)-3-(4-fluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione has a molecular weight of 314.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-(4-fluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione is sourced from PubChem (CID 177164418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).