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

C11H11FN4O — CID 80710118

IUPAC4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1cc(C(=O)Nc2ncnn2C)ccc1F
InChIInChI=1S/C11H11FN4O/c1-7-5-8(3-4-9(7)12)10(17)15-11-13-6-14-16(11)2/h3-6H,1-2H3,(H,13,14,15,17)
InChIKeyGSZIIEMSJYCDGH-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.51
Rot. Bonds2

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

4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 80710118) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID80710118
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1cc(C(=O)Nc2ncnn2C)ccc1F
InChIInChI=1S/C11H11FN4O/c1-7-5-8(3-4-9(7)12)10(17)15-11-13-6-14-16(11)2/h3-6H,1-2H3,(H,13,14,15,17)
InChIKeyGSZIIEMSJYCDGH-UHFFFAOYSA-N
XLogP1.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 103769476
4-hydroxy-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 113357521
1-[(4-fluoro-3-methylphenyl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 167989757
4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80709266
N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103800959
4-fluoro-3-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 95226291
N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide
CID 80709605
N-(2-methyl-1,2,4-triazol-3-yl)acetamide
CID 119096873
4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63212388
N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
CID 79733912
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide
CID 169412050

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (CID 80710118) is 4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is Cc1cc(C(=O)Nc2ncnn2C)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is GSZIIEMSJYCDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-7-5-8(3-4-9(7)12)10(17)15-11-13-6-14-16(11)2/h3-6H,1-2H3,(H,13,14,15,17).
What are the key properties of 4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 234.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 80710118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).