3-fluoro-4-methoxy-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide

C17H15FN4O2 — CID 36518458

IUPAC3-fluoro-4-methoxy-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)cc1F
InChIInChI=1S/C17H15FN4O2/c1-24-16-7-4-13(8-15(16)18)17(23)21-14-5-2-12(3-6-14)9-22-11-19-10-20-22/h2-8,10-11H,9H2,1H3,(H,21,23)
InChIKeyFEOVGRAAWMOSCN-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.73
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide

3-fluoro-4-methoxy-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide (PubChem CID 36518458) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
PubChem CID36518458
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name3-fluoro-4-methoxy-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)cc1F
InChIInChI=1S/C17H15FN4O2/c1-24-16-7-4-13(8-15(16)18)17(23)21-14-5-2-12(3-6-14)9-22-11-19-10-20-22/h2-8,10-11H,9H2,1H3,(H,21,23)
InChIKeyFEOVGRAAWMOSCN-UHFFFAOYSA-N
XLogP2.73
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide (CID 36518458) is 3-fluoro-4-methoxy-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is FEOVGRAAWMOSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-24-16-7-4-13(8-15(16)18)17(23)21-14-5-2-12(3-6-14)9-22-11-19-10-20-22/h2-8,10-11H,9H2,1H3,(H,21,23).
What are the key properties of 3-fluoro-4-methoxy-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
3-fluoro-4-methoxy-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 326.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 36518458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).