2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

C13H15FN4O — CID 55083285

IUPAC2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCc1ccc(F)c(C(=O)NC(C)c2nncn2C)c1
InChIInChI=1S/C13H15FN4O/c1-8-4-5-11(14)10(6-8)13(19)16-9(2)12-17-15-7-18(12)3/h4-7,9H,1-3H3,(H,16,19)
InChIKeyMSZGGSJEMIFBBG-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.75
Rot. Bonds3

About 2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 55083285) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID55083285
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCc1ccc(F)c(C(=O)NC(C)c2nncn2C)c1
InChIInChI=1S/C13H15FN4O/c1-8-4-5-11(14)10(6-8)13(19)16-9(2)12-17-15-7-18(12)3/h4-7,9H,1-3H3,(H,16,19)
InChIKeyMSZGGSJEMIFBBG-UHFFFAOYSA-N
XLogP1.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62659999
2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 106501729
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]benzoic acid
CID 60941368
3,6-dimethyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 97145494
2-bromo-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 54878197
5-bromo-2-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 103874904
2-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide
CID 95279293
2-fluoro-5-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 62511341
6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976774
5-amino-2-bromo-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62119905
5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 90648293
N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62513333

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 55083285) is 2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is Cc1ccc(F)c(C(=O)NC(C)c2nncn2C)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is MSZGGSJEMIFBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-8-4-5-11(14)10(6-8)13(19)16-9(2)12-17-15-7-18(12)3/h4-7,9H,1-3H3,(H,16,19).
What are the key properties of 2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 262.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 55083285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).