1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide

C23H20N4O2 — CID 18152774

IUPAC1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C23H20N4O2/c1-17-11-13-19(14-12-17)29-22-10-6-5-9-20(22)24-23(28)21-16-27(26-25-21)15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,24,28)
InChIKeyAGNRMZRGSRKTJZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.68
Rot. Bonds6

About 1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide

1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide (PubChem CID 18152774) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide
PubChem CID18152774
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C23H20N4O2/c1-17-11-13-19(14-12-17)29-22-10-6-5-9-20(22)24-23(28)21-16-27(26-25-21)15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,24,28)
InChIKeyAGNRMZRGSRKTJZ-UHFFFAOYSA-N
XLogP4.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]triazole-4-carboxamide
CID 31858779
1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide
CID 18146607
1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide
CID 31031199
1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 18152232
6-methyl-N-[2-(4-methylphenoxy)phenyl]pyridine-2-carboxamide
CID 38507776
1-benzyl-N-(2,4-difluorophenyl)triazole-4-carboxamide
CID 18152169
1-benzyl-N-(2,5-dichlorophenyl)triazole-4-carboxamide
CID 31701106
1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 18152035
1-benzyl-N-(4-chloro-2-fluorophenyl)triazole-4-carboxamide
CID 18152200
6-methyl-N-(2-phenoxyphenyl)pyridazine-3-carboxamide
CID 110705367
1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide
CID 51647259
1-benzyltriazole-4-carbonyl chloride
CID 87720228

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide (CID 18152774) is 1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide is Cc1ccc(Oc2ccccc2NC(=O)c2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of 1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide?
The InChIKey is AGNRMZRGSRKTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-17-11-13-19(14-12-17)29-22-10-6-5-9-20(22)24-23(28)21-16-27(26-25-21)15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,24,28).
What are the key properties of 1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide?
1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 18152774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).