N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide

C16H13FN4O2 — CID 17436835

IUPACN-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1n[nH]c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H13FN4O2/c1-23-13-5-3-2-4-12(13)15(22)19-16-18-14(20-21-16)10-6-8-11(17)9-7-10/h2-9H,1H3,(H2,18,19,20,21,22)
InChIKeyUTBAANUPOXOZPT-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.87
Rot. Bonds4

About N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide

N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide (PubChem CID 17436835) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide
PubChem CID17436835
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC NameN-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1n[nH]c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H13FN4O2/c1-23-13-5-3-2-4-12(13)15(22)19-16-18-14(20-21-16)10-6-8-11(17)9-7-10/h2-9H,1H3,(H2,18,19,20,21,22)
InChIKeyUTBAANUPOXOZPT-UHFFFAOYSA-N
XLogP2.87
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide (CID 17436835) is N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1n[nH]c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide?
The InChIKey is UTBAANUPOXOZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-23-13-5-3-2-4-12(13)15(22)19-16-18-14(20-21-16)10-6-8-11(17)9-7-10/h2-9H,1H3,(H2,18,19,20,21,22).
What are the key properties of N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide?
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide has a molecular weight of 312.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 17436835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).