2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide

C22H13F3N2O5 — CID 1107364

IUPAC2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide
SMILESO=C1c2ccc(Oc3ccc(NC(=O)C(F)(F)F)cc3)cc2C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C22H13F3N2O5/c23-22(24,25)21(31)26-12-1-7-15(8-2-12)32-16-9-10-17-18(11-16)20(30)27(19(17)29)13-3-5-14(28)6-4-13/h1-11,28H,(H,26,31)
InChIKeyUXIQMHRSKWXFJV-UHFFFAOYSA-N
MW442.35 g/mol
LogP4.49
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide

2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide (PubChem CID 1107364) has the molecular formula C22H13F3N2O5 and a molecular weight of 442.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide
PubChem CID1107364
Molecular FormulaC22H13F3N2O5
Molecular Weight442.35 g/mol
Exact Mass442.08
IUPAC Name2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide
SMILESO=C1c2ccc(Oc3ccc(NC(=O)C(F)(F)F)cc3)cc2C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C22H13F3N2O5/c23-22(24,25)21(31)26-12-1-7-15(8-2-12)32-16-9-10-17-18(11-16)20(30)27(19(17)29)13-3-5-14(28)6-4-13/h1-11,28H,(H,26,31)
InChIKeyUXIQMHRSKWXFJV-UHFFFAOYSA-N
XLogP4.49
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.35
LogP ≤ 54.49
H-Bond Donors ≤ 52
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 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide (CID 1107364) is 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide is O=C1c2ccc(Oc3ccc(NC(=O)C(F)(F)F)cc3)cc2C(=O)N1c1ccc(O)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide?
The InChIKey is UXIQMHRSKWXFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N2O5/c23-22(24,25)21(31)26-12-1-7-15(8-2-12)32-16-9-10-17-18(11-16)20(30)27(19(17)29)13-3-5-14(28)6-4-13/h1-11,28H,(H,26,31).
What are the key properties of 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide?
2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide has a molecular weight of 442.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide is sourced from PubChem (CID 1107364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).