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

C16H13FN4O2 — CID 9246778

IUPACN-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1n[nH]c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H13FN4O2/c17-12-8-6-11(7-9-12)15-19-16(21-20-15)18-14(22)10-23-13-4-2-1-3-5-13/h1-9H,10H2,(H2,18,19,20,21,22)
InChIKeyDJVRIRUVAXISMT-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.63
Rot. Bonds5

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

N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide (PubChem CID 9246778) 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-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide
PubChem CID9246778
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC NameN-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1n[nH]c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H13FN4O2/c17-12-8-6-11(7-9-12)15-19-16(21-20-15)18-14(22)10-23-13-4-2-1-3-5-13/h1-9H,10H2,(H2,18,19,20,21,22)
InChIKeyDJVRIRUVAXISMT-UHFFFAOYSA-N
XLogP2.63
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246888
2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246413
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 9247104
N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide
CID 9245931
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 9247041
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246817
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 167880699
2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide
CID 17414942
(2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide
CID 9246906

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide (CID 9246778) is N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1n[nH]c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide?
The InChIKey is DJVRIRUVAXISMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c17-12-8-6-11(7-9-12)15-19-16(21-20-15)18-14(22)10-23-13-4-2-1-3-5-13/h1-9H,10H2,(H2,18,19,20,21,22).
What are the key properties of N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide?
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide has a molecular weight of 312.30 g/mol, XLogP of 2.63, 5 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-phenoxyacetamide is sourced from PubChem (CID 9246778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).