5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide

C16H10F4N2O — CID 158234075

IUPAC5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide
SMILESNC(=O)c1cc(F)ccc1-c1cc(C(F)(F)F)cc2c1C=NC2
InChIInChI=1S/C16H10F4N2O/c17-10-1-2-11(13(5-10)15(21)23)12-4-9(16(18,19)20)3-8-6-22-7-14(8)12/h1-5,7H,6H2,(H2,21,23)
InChIKeyGESZEDRLZPXOQC-UHFFFAOYSA-N
MW322.26 g/mol
LogP3.54
Rot. Bonds2

About 5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide

5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide (PubChem CID 158234075) has the molecular formula C16H10F4N2O and a molecular weight of 322.26 g/mol. Its IUPAC name is 5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide
PubChem CID158234075
Molecular FormulaC16H10F4N2O
Molecular Weight322.26 g/mol
Exact Mass322.07
IUPAC Name5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide
SMILESNC(=O)c1cc(F)ccc1-c1cc(C(F)(F)F)cc2c1C=NC2
InChIInChI=1S/C16H10F4N2O/c17-10-1-2-11(13(5-10)15(21)23)12-4-9(16(18,19)20)3-8-6-22-7-14(8)12/h1-5,7H,6H2,(H2,21,23)
InChIKeyGESZEDRLZPXOQC-UHFFFAOYSA-N
XLogP3.54
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide?
The IUPAC name of 5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide (CID 158234075) is 5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide.
What is the SMILES notation for 5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide?
The canonical SMILES for 5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide is NC(=O)c1cc(F)ccc1-c1cc(C(F)(F)F)cc2c1C=NC2.
What is the InChIKey of 5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide?
The InChIKey is GESZEDRLZPXOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O/c17-10-1-2-11(13(5-10)15(21)23)12-4-9(16(18,19)20)3-8-6-22-7-14(8)12/h1-5,7H,6H2,(H2,21,23).
What are the key properties of 5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide?
5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide has a molecular weight of 322.26 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide is sourced from PubChem (CID 158234075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).