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

C19H19FN4O — CID 53168923

IUPAC2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2n[nH]c(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H19FN4O/c1-13-2-4-15(5-3-13)12-21-19(25)11-18-22-17(23-24-18)10-14-6-8-16(20)9-7-14/h2-9H,10-12H2,1H3,(H,21,25)(H,22,23,24)
InChIKeySZMHZTFNBIJUJI-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.70
Rot. Bonds6

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

2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 53168923) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID53168923
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2n[nH]c(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H19FN4O/c1-13-2-4-15(5-3-13)12-21-19(25)11-18-22-17(23-24-18)10-14-6-8-16(20)9-7-14/h2-9H,10-12H2,1H3,(H,21,25)(H,22,23,24)
InChIKeySZMHZTFNBIJUJI-UHFFFAOYSA-N
XLogP2.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[5-[(4-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 43831805
N-[(4-methoxyphenyl)methyl]-2-[5-[(4-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 43832152
N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 53168785
2-(3,4-dimethoxyphenyl)-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]acetamide
CID 53008595
[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
CID 79600715
2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide
CID 53168947
3-methyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]benzamide
CID 53008599
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940
N-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 53168854
1-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-3-phenylurea
CID 46354901
4-amino-N-[[3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82568852

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 53168923) is 2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cc2n[nH]c(Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is SZMHZTFNBIJUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13-2-4-15(5-3-13)12-21-19(25)11-18-22-17(23-24-18)10-14-6-8-16(20)9-7-14/h2-9H,10-12H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 338.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 53168923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).