2-(pyrazin-2-ylmethoxy)-5-(trifluoromethyl)benzamide

C13H10F3N3O2 — CID 67303390

IUPAC2-(pyrazin-2-ylmethoxy)-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1OCc1cnccn1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)8-1-2-11(10(5-8)12(17)20)21-7-9-6-18-3-4-19-9/h1-6H,7H2,(H2,17,20)
InChIKeyJZHFVLNNWWSBJG-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.17
Rot. Bonds4

About 2-(pyrazin-2-ylmethoxy)-5-(trifluoromethyl)benzamide

2-(pyrazin-2-ylmethoxy)-5-(trifluoromethyl)benzamide (PubChem CID 67303390) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-(pyrazin-2-ylmethoxy)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(pyrazin-2-ylmethoxy)-5-(trifluoromethyl)benzamide
PubChem CID67303390
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name2-(pyrazin-2-ylmethoxy)-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1OCc1cnccn1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)8-1-2-11(10(5-8)12(17)20)21-7-9-6-18-3-4-19-9/h1-6H,7H2,(H2,17,20)
InChIKeyJZHFVLNNWWSBJG-UHFFFAOYSA-N
XLogP2.17
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazin-2-ylmethoxy)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(pyrazin-2-ylmethoxy)-5-(trifluoromethyl)benzamide (CID 67303390) is 2-(pyrazin-2-ylmethoxy)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(pyrazin-2-ylmethoxy)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(pyrazin-2-ylmethoxy)-5-(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)ccc1OCc1cnccn1.
What is the InChIKey of 2-(pyrazin-2-ylmethoxy)-5-(trifluoromethyl)benzamide?
The InChIKey is JZHFVLNNWWSBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c14-13(15,16)8-1-2-11(10(5-8)12(17)20)21-7-9-6-18-3-4-19-9/h1-6H,7H2,(H2,17,20).
What are the key properties of 2-(pyrazin-2-ylmethoxy)-5-(trifluoromethyl)benzamide?
2-(pyrazin-2-ylmethoxy)-5-(trifluoromethyl)benzamide has a molecular weight of 297.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazin-2-ylmethoxy)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 67303390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).