3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide

C17H14F2N4O — CID 126468209

IUPAC3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESCc1ccc(-c2n[nH]c(CNC(=O)c3cc(F)cc(F)c3)n2)cc1
InChIInChI=1S/C17H14F2N4O/c1-10-2-4-11(5-3-10)16-21-15(22-23-16)9-20-17(24)12-6-13(18)8-14(19)7-12/h2-8H,9H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyIDUHVZYELPRJFL-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.99
Rot. Bonds4

About 3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide

3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (PubChem CID 126468209) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
PubChem CID126468209
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESCc1ccc(-c2n[nH]c(CNC(=O)c3cc(F)cc(F)c3)n2)cc1
InChIInChI=1S/C17H14F2N4O/c1-10-2-4-11(5-3-10)16-21-15(22-23-16)9-20-17(24)12-6-13(18)8-14(19)7-12/h2-8H,9H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyIDUHVZYELPRJFL-UHFFFAOYSA-N
XLogP2.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-[2-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoethyl]benzamide
CID 56527800
4-amino-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569636
2-chloro-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-4-carboxamide
CID 56801937
N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-nitrobenzamide
CID 56827489
N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56827462
3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 167842332
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 56524273
3-bromo-2-hydroxy-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-methylbenzamide
CID 56527807
4-iodo-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 56524317
3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 25397079
2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
CID 56827442
3-(dimethylsulfamoyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4,5-dimethylbenzamide
CID 56524376

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (CID 126468209) is 3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is Cc1ccc(-c2n[nH]c(CNC(=O)c3cc(F)cc(F)c3)n2)cc1.
What is the InChIKey of 3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The InChIKey is IDUHVZYELPRJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c1-10-2-4-11(5-3-10)16-21-15(22-23-16)9-20-17(24)12-6-13(18)8-14(19)7-12/h2-8H,9H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide has a molecular weight of 328.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is sourced from PubChem (CID 126468209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).