4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

C11H9F3N4O2 — CID 2340646

IUPAC4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1
InChIInChI=1S/C11H9F3N4O2/c1-20-7-4-2-6(3-5-7)8(19)15-10-16-9(17-18-10)11(12,13)14/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyJCWTXBDZUABASM-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.08
Rot. Bonds3

About 4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 2340646) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID2340646
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1
InChIInChI=1S/C11H9F3N4O2/c1-20-7-4-2-6(3-5-7)8(19)15-10-16-9(17-18-10)11(12,13)14/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyJCWTXBDZUABASM-UHFFFAOYSA-N
XLogP2.08
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (CID 2340646) is 4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is COc1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is JCWTXBDZUABASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-20-7-4-2-6(3-5-7)8(19)15-10-16-9(17-18-10)11(12,13)14/h2-5H,1H3,(H2,15,16,17,18,19).
What are the key properties of 4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 286.21 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 2340646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).