N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide

C21H18N4O2 — CID 9247104

IUPACN-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc(-c2nc(NC(=O)COc3ccc4ccccc4c3)n[nH]2)cc1
InChIInChI=1S/C21H18N4O2/c1-14-6-8-16(9-7-14)20-23-21(25-24-20)22-19(26)13-27-18-11-10-15-4-2-3-5-17(15)12-18/h2-12H,13H2,1H3,(H2,22,23,24,25,26)
InChIKeyFGHBMCBGUKZPBT-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.95
Rot. Bonds5

About N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide

N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 9247104) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide
PubChem CID9247104
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc(-c2nc(NC(=O)COc3ccc4ccccc4c3)n[nH]2)cc1
InChIInChI=1S/C21H18N4O2/c1-14-6-8-16(9-7-14)20-23-21(25-24-20)22-19(26)13-27-18-11-10-15-4-2-3-5-17(15)12-18/h2-12H,13H2,1H3,(H2,22,23,24,25,26)
InChIKeyFGHBMCBGUKZPBT-UHFFFAOYSA-N
XLogP3.95
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 167880699
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide
CID 9246778
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide
CID 9247075
2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246413
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide
CID 9247060
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813941
4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 809232
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9246390
2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246888
N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 9247041
N-(2-hydroxy-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 2688141
N-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide
CID 4745418

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide (CID 9247104) is N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide is Cc1ccc(-c2nc(NC(=O)COc3ccc4ccccc4c3)n[nH]2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is FGHBMCBGUKZPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-6-8-16(9-7-14)20-23-21(25-24-20)22-19(26)13-27-18-11-10-15-4-2-3-5-17(15)12-18/h2-12H,13H2,1H3,(H2,22,23,24,25,26).
What are the key properties of N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide?
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 358.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 9247104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).