4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

C10H9FN4O2 — CID 103830032

IUPAC4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(F)cc2O)n[nH]1
InChIInChI=1S/C10H9FN4O2/c1-5-12-10(15-14-5)13-9(17)7-3-2-6(11)4-8(7)16/h2-4,16H,1H3,(H2,12,13,14,15,17)
InChIKeyKDYDOXPGLVMJNV-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.21
Rot. Bonds2

About 4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 103830032) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID103830032
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Name4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(F)cc2O)n[nH]1
InChIInChI=1S/C10H9FN4O2/c1-5-12-10(15-14-5)13-9(17)7-3-2-6(11)4-8(7)16/h2-4,16H,1H3,(H2,12,13,14,15,17)
InChIKeyKDYDOXPGLVMJNV-UHFFFAOYSA-N
XLogP1.21
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 103779385
5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
CID 78928012
4-fluoro-2-hydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 103829854
2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928069
4-fluoro-2-hydroxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 103889353
3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928260
2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 167947878
2,6-difluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 82815861
4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 103829726
N-(2,6-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888059
3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 79673258
N-(2,5-dimethylphenyl)-4-fluoro-2-hydroxybenzamide
CID 103887364

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 103830032) is 4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is Cc1nc(NC(=O)c2ccc(F)cc2O)n[nH]1.
What is the InChIKey of 4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is KDYDOXPGLVMJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-5-12-10(15-14-5)13-9(17)7-3-2-6(11)4-8(7)16/h2-4,16H,1H3,(H2,12,13,14,15,17).
What are the key properties of 4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 236.21 g/mol, XLogP of 1.21, 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-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 103830032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).