4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide

C9H7FN4O2 — CID 103829726

IUPAC4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(F)cc1O
InChIInChI=1S/C9H7FN4O2/c10-5-1-2-6(7(15)3-5)8(16)13-9-11-4-12-14-9/h1-4,15H,(H2,11,12,13,14,16)
InChIKeyPSDJHWHHPBPNRY-UHFFFAOYSA-N
MW222.18 g/mol
LogP0.90
Rot. Bonds2

About 4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide

4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 103829726) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID103829726
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(F)cc1O
InChIInChI=1S/C9H7FN4O2/c10-5-1-2-6(7(15)3-5)8(16)13-9-11-4-12-14-9/h1-4,15H,(H2,11,12,13,14,16)
InChIKeyPSDJHWHHPBPNRY-UHFFFAOYSA-N
XLogP0.90
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-hydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 103829854
2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 110464948
3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 106547869
3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 115659809
4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 103830032
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2348802
N-(2,6-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888059
N-(1H-1,2,4-triazol-5-yl)-2-(2,4,6-trifluorophenyl)acetamide
CID 110487509
N-(2,5-dimethylphenyl)-4-fluoro-2-hydroxybenzamide
CID 103887364
2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
CID 104986154
N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-2-hydroxybenzamide
CID 53309399
4-fluoro-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 103829649

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 103829726) is 4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is PSDJHWHHPBPNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2/c10-5-1-2-6(7(15)3-5)8(16)13-9-11-4-12-14-9/h1-4,15H,(H2,11,12,13,14,16).
What are the key properties of 4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 222.18 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 103829726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).