2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione

C17H11F3N2O4 — CID 71847357

IUPAC2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C17H11F3N2O4/c18-17(19,20)10-5-6-14(24)21(7-10)8-11(23)9-22-15(25)12-3-1-2-4-13(12)16(22)26/h1-7H,8-9H2
InChIKeyLUBQXJASSVDALS-UHFFFAOYSA-N
MW364.28 g/mol
LogP1.73
Rot. Bonds4

About 2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione

2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione (PubChem CID 71847357) has the molecular formula C17H11F3N2O4 and a molecular weight of 364.28 g/mol. Its IUPAC name is 2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione
PubChem CID71847357
Molecular FormulaC17H11F3N2O4
Molecular Weight364.28 g/mol
Exact Mass364.07
IUPAC Name2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C17H11F3N2O4/c18-17(19,20)10-5-6-14(24)21(7-10)8-11(23)9-22-15(25)12-3-1-2-4-13(12)16(22)26/h1-7H,8-9H2
InChIKeyLUBQXJASSVDALS-UHFFFAOYSA-N
XLogP1.73
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione (CID 71847357) is 2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione is O=C(CN1C(=O)c2ccccc2C1=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione?
The InChIKey is LUBQXJASSVDALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O4/c18-17(19,20)10-5-6-14(24)21(7-10)8-11(23)9-22-15(25)12-3-1-2-4-13(12)16(22)26/h1-7H,8-9H2.
What are the key properties of 2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione?
2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione has a molecular weight of 364.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 71847357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).