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

C12H13FN4O — CID 79777537

IUPAC2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2nncn2C)c(F)c1
InChIInChI=1S/C12H13FN4O/c1-8-3-4-9(10(13)5-8)12(18)14-6-11-16-15-7-17(11)2/h3-5,7H,6H2,1-2H3,(H,14,18)
InChIKeyACXUVEAKTVTTNQ-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.19
Rot. Bonds3

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

2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 79777537) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID79777537
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2nncn2C)c(F)c1
InChIInChI=1S/C12H13FN4O/c1-8-3-4-9(10(13)5-8)12(18)14-6-11-16-15-7-17(11)2/h3-5,7H,6H2,1-2H3,(H,14,18)
InChIKeyACXUVEAKTVTTNQ-UHFFFAOYSA-N
XLogP1.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 63110019
2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 104916778
2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 106993375
3-bromo-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 103706759
2-bromo-6-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 115678631
4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-sulfanylbenzamide
CID 107027919
2-fluoro-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 79781563
2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 103893192
2-amino-5-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 107074730
6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717543
2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882306
2-bromo-5-iodo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 103994456

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 79777537) is 2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide is Cc1ccc(C(=O)NCc2nncn2C)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is ACXUVEAKTVTTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-8-3-4-9(10(13)5-8)12(18)14-6-11-16-15-7-17(11)2/h3-5,7H,6H2,1-2H3,(H,14,18).
What are the key properties of 2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 248.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 79777537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).