N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide

C12H12FN5O2 — CID 146122005

IUPACN-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)Cn2cncn2)c1
InChIInChI=1S/C12H12FN5O2/c1-8(19)16-9-2-3-10(13)11(4-9)17-12(20)5-18-7-14-6-15-18/h2-4,6-7H,5H2,1H3,(H,16,19)(H,17,20)
InChIKeyCVWGJQONYDQYDS-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.01
Rot. Bonds4

About N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 146122005) has the molecular formula C12H12FN5O2 and a molecular weight of 277.26 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID146122005
Molecular FormulaC12H12FN5O2
Molecular Weight277.26 g/mol
Exact Mass277.10
IUPAC NameN-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)Cn2cncn2)c1
InChIInChI=1S/C12H12FN5O2/c1-8(19)16-9-2-3-10(13)11(4-9)17-12(20)5-18-7-14-6-15-18/h2-4,6-7H,5H2,1H3,(H,16,19)(H,17,20)
InChIKeyCVWGJQONYDQYDS-UHFFFAOYSA-N
XLogP1.01
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide 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-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 167889956
N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61129965
N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 64788698
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822852
N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 113234244
N-(5-fluoro-2-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61130568
5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid
CID 61405729
N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 43601866
2-fluoro-5-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 60750143
N-(5-acetamido-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949796
N-(4-bromo-3,5-dimethylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 106491136

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 146122005) is N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide is CC(=O)Nc1ccc(F)c(NC(=O)Cn2cncn2)c1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is CVWGJQONYDQYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O2/c1-8(19)16-9-2-3-10(13)11(4-9)17-12(20)5-18-7-14-6-15-18/h2-4,6-7H,5H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 277.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 146122005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).