N-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide

C17H15ClN4O2 — CID 39890141

IUPACN-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(-n2cnnc2)c1
InChIInChI=1S/C17H15ClN4O2/c1-12-2-7-16(15(8-12)22-10-19-20-11-22)24-9-17(23)21-14-5-3-13(18)4-6-14/h2-8,10-11H,9H2,1H3,(H,21,23)
InChIKeyVFZWSHCLIAZECF-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.25
Rot. Bonds5

About N-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide

N-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide (PubChem CID 39890141) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
PubChem CID39890141
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(-n2cnnc2)c1
InChIInChI=1S/C17H15ClN4O2/c1-12-2-7-16(15(8-12)22-10-19-20-11-22)24-9-17(23)21-14-5-3-13(18)4-6-14/h2-8,10-11H,9H2,1H3,(H,21,23)
InChIKeyVFZWSHCLIAZECF-UHFFFAOYSA-N
XLogP3.25
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 46366665
2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 39890234
2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46366675
N-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 39890185
N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 800993
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
N-(4-acetamidophenyl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 7731856
2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide
CID 55856249
2-(4-chlorophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]phenyl]acetamide
CID 157084020
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 43376403
2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 1369656

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide (CID 39890141) is N-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide is Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(-n2cnnc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The InChIKey is VFZWSHCLIAZECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-12-2-7-16(15(8-12)22-10-19-20-11-22)24-9-17(23)21-14-5-3-13(18)4-6-14/h2-8,10-11H,9H2,1H3,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
N-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide has a molecular weight of 342.79 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide is sourced from PubChem (CID 39890141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).