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

C17H15FN4O2 — CID 86992268

IUPAC3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-n3cncn3)cc2)cc1F
InChIInChI=1S/C17H15FN4O2/c1-24-16-7-4-13(8-15(16)18)17(23)20-9-12-2-5-14(6-3-12)22-11-19-10-21-22/h2-8,10-11H,9H2,1H3,(H,20,23)
InChIKeyGQAZUCHMDCCFED-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.35
Rot. Bonds5

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

3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide (PubChem CID 86992268) 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-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
PubChem CID86992268
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-n3cncn3)cc2)cc1F
InChIInChI=1S/C17H15FN4O2/c1-24-16-7-4-13(8-15(16)18)17(23)20-9-12-2-5-14(6-3-12)22-11-19-10-21-22/h2-8,10-11H,9H2,1H3,(H,20,23)
InChIKeyGQAZUCHMDCCFED-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24535888
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727
4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55845079
3-ethoxy-4-(2-phenoxyethoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55795864
3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732141
4-(1,2,4-triazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 18286168
3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761105
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 110793434
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55734456
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 87008194

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide (CID 86992268) is 3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2ccc(-n3cncn3)cc2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide?
The InChIKey is GQAZUCHMDCCFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-24-16-7-4-13(8-15(16)18)17(23)20-9-12-2-5-14(6-3-12)22-11-19-10-21-22/h2-8,10-11H,9H2,1H3,(H,20,23).
What are the key properties of 3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide?
3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide has a molecular weight of 326.33 g/mol, XLogP of 2.35, 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-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 86992268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).