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

C24H21N5O3 — CID 31031199

IUPAC1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C24H21N5O3/c1-32-22-10-6-5-9-20(22)26-23(30)18-11-13-19(14-12-18)25-24(31)21-16-29(28-27-21)15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,25,31)(H,26,30)
InChIKeyNOAAYWVWHKSBQJ-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.84
Rot. Bonds7

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

1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide (PubChem CID 31031199) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide
PubChem CID31031199
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C24H21N5O3/c1-32-22-10-6-5-9-20(22)26-23(30)18-11-13-19(14-12-18)25-24(31)21-16-29(28-27-21)15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,25,31)(H,26,30)
InChIKeyNOAAYWVWHKSBQJ-UHFFFAOYSA-N
XLogP3.84
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 18152035
1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide
CID 18152774
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide
CID 51647259
1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide
CID 18146607
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
1-[(2-chlorophenyl)methyl]-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 39723136
1-benzyl-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]triazole-4-carboxamide
CID 31858779
1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide
CID 24684976
1-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]triazole-4-carboxamide
CID 31868782
1-benzyl-N-(2,4-difluorophenyl)triazole-4-carboxamide
CID 18152169
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 2994520

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide (CID 31031199) is 1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide is COc1ccccc1NC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of 1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide?
The InChIKey is NOAAYWVWHKSBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-32-22-10-6-5-9-20(22)26-23(30)18-11-13-19(14-12-18)25-24(31)21-16-29(28-27-21)15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,25,31)(H,26,30).
What are the key properties of 1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide?
1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide is sourced from PubChem (CID 31031199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).