2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

C12H13FN4O — CID 113246898

IUPAC2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCc1ccc(F)c(C(=O)NC(C)c2ncn[nH]2)c1
InChIInChI=1S/C12H13FN4O/c1-7-3-4-10(13)9(5-7)12(18)16-8(2)11-14-6-15-17-11/h3-6,8H,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyJDYJKHIFSDZWJU-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.74
Rot. Bonds3

About 2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 113246898) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID113246898
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCc1ccc(F)c(C(=O)NC(C)c2ncn[nH]2)c1
InChIInChI=1S/C12H13FN4O/c1-7-3-4-10(13)9(5-7)12(18)16-8(2)11-14-6-15-17-11/h3-6,8H,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyJDYJKHIFSDZWJU-UHFFFAOYSA-N
XLogP1.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283670
5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716401
2-bromo-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281965
N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide
CID 55260574
5-amino-2-fluoro-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281069
3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 138026371
2-fluoro-5-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 62511341
2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 62512005
2-chloro-5-methylsulfanyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716393
2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283696
N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62513333
2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 62513013

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 113246898) is 2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is Cc1ccc(F)c(C(=O)NC(C)c2ncn[nH]2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is JDYJKHIFSDZWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-7-3-4-10(13)9(5-7)12(18)16-8(2)11-14-6-15-17-11/h3-6,8H,1-2H3,(H,16,18)(H,14,15,17).
What are the key properties of 2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 248.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 113246898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).