2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide

C10H9FN4O — CID 173080430

IUPAC2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESNC(=O)Cc1ccc(-n2cncn2)cc1F
InChIInChI=1S/C10H9FN4O/c11-9-4-8(15-6-13-5-14-15)2-1-7(9)3-10(12)16/h1-2,4-6H,3H2,(H2,12,16)
InChIKeyGTVIVWLLOYQJME-UHFFFAOYSA-N
MW220.21 g/mol
LogP0.43
Rot. Bonds3

About 2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide

2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide (PubChem CID 173080430) has the molecular formula C10H9FN4O and a molecular weight of 220.21 g/mol. Its IUPAC name is 2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide
PubChem CID173080430
Molecular FormulaC10H9FN4O
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESNC(=O)Cc1ccc(-n2cncn2)cc1F
InChIInChI=1S/C10H9FN4O/c11-9-4-8(15-6-13-5-14-15)2-1-7(9)3-10(12)16/h1-2,4-6H,3H2,(H2,12,16)
InChIKeyGTVIVWLLOYQJME-UHFFFAOYSA-N
XLogP0.43
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 8097905
4-(1H-1,2,4-triazol-1-yl)benzaldehyde
CID 2776488
N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 24686140
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-2-phenylacetamide
CID 661952
1-(4-(1H-1,2,4-Triazol-1-yl)phenyl)ethanamine
CID 4962205
N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 9120296
N-(4-fluorophenyl)-4-(4H-1,2,4-triazol-4-yl)benzamide
CID 6457725
7-(4-(Diethylamino)phenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410504
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-phenylpropanamide
CID 661821
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide
CID 703013
3-[4-(1,2,4-triazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 14099433
4,5-dihydro-6-[4-(4H-1,2,4-triazol-4-yl)phenyl]-3(2H)-pyridazinone
CID 14099434

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide (CID 173080430) is 2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide is NC(=O)Cc1ccc(-n2cncn2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The InChIKey is GTVIVWLLOYQJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O/c11-9-4-8(15-6-13-5-14-15)2-1-7(9)3-10(12)16/h1-2,4-6H,3H2,(H2,12,16).
What are the key properties of 2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide?
2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide has a molecular weight of 220.21 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 173080430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).