3-fluoro-4-hydroxy-5-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide

C16H13FN4O3 — CID 155620308

IUPAC3-fluoro-4-hydroxy-5-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(-n3cncn3)cc2)cc(F)c1O
InChIInChI=1S/C16H13FN4O3/c1-24-14-7-10(6-13(17)15(14)22)16(23)20-11-2-4-12(5-3-11)21-9-18-8-19-21/h2-9,22H,1H3,(H,20,23)
InChIKeyFPLIMMZHPUANMM-UHFFFAOYSA-N
MW328.30 g/mol
LogP2.37
Rot. Bonds4

About 3-fluoro-4-hydroxy-5-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide

3-fluoro-4-hydroxy-5-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 155620308) has the molecular formula C16H13FN4O3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-5-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-5-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID155620308
Molecular FormulaC16H13FN4O3
Molecular Weight328.30 g/mol
Exact Mass328.10
IUPAC Name3-fluoro-4-hydroxy-5-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(-n3cncn3)cc2)cc(F)c1O
InChIInChI=1S/C16H13FN4O3/c1-24-14-7-10(6-13(17)15(14)22)16(23)20-11-2-4-12(5-3-11)21-9-18-8-19-21/h2-9,22H,1H3,(H,20,23)
InChIKeyFPLIMMZHPUANMM-UHFFFAOYSA-N
XLogP2.37
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxy-5-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-4-hydroxy-5-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 155620308) is 3-fluoro-4-hydroxy-5-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-4-hydroxy-5-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-4-hydroxy-5-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(-n3cncn3)cc2)cc(F)c1O.
What is the InChIKey of 3-fluoro-4-hydroxy-5-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is FPLIMMZHPUANMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3/c1-24-14-7-10(6-13(17)15(14)22)16(23)20-11-2-4-12(5-3-11)21-9-18-8-19-21/h2-9,22H,1H3,(H,20,23).
What are the key properties of 3-fluoro-4-hydroxy-5-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
3-fluoro-4-hydroxy-5-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide has a molecular weight of 328.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxy-5-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 155620308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).