3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzamide

C11H11FN4O2 — CID 75517930

IUPAC3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzamide
SMILESCOc1n[nH]c(NC(=O)c2cc(C)cc(F)c2)n1
InChIInChI=1S/C11H11FN4O2/c1-6-3-7(5-8(12)4-6)9(17)13-10-14-11(18-2)16-15-10/h3-5H,1-2H3,(H2,13,14,15,16,17)
InChIKeyZXMFOBLCFGLXRD-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.51
Rot. Bonds3

About 3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzamide

3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzamide (PubChem CID 75517930) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzamide
PubChem CID75517930
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzamide
SMILESCOc1n[nH]c(NC(=O)c2cc(C)cc(F)c2)n1
InChIInChI=1S/C11H11FN4O2/c1-6-3-7(5-8(12)4-6)9(17)13-10-14-11(18-2)16-15-10/h3-5H,1-2H3,(H2,13,14,15,16,17)
InChIKeyZXMFOBLCFGLXRD-UHFFFAOYSA-N
XLogP1.51
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzamide?
The IUPAC name of 3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzamide (CID 75517930) is 3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzamide?
The canonical SMILES for 3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzamide is COc1n[nH]c(NC(=O)c2cc(C)cc(F)c2)n1.
What is the InChIKey of 3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzamide?
The InChIKey is ZXMFOBLCFGLXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-6-3-7(5-8(12)4-6)9(17)13-10-14-11(18-2)16-15-10/h3-5H,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzamide?
3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzamide has a molecular weight of 250.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzamide is sourced from PubChem (CID 75517930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).