N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide

C22H20N4O2 — CID 53111446

IUPACN-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(c2)nnn3Cc2ccc(C)cc2)c1
InChIInChI=1S/C22H20N4O2/c1-15-6-8-16(9-7-15)14-26-21-11-10-17(12-20(21)24-25-26)22(27)23-18-4-3-5-19(13-18)28-2/h3-13H,14H2,1-2H3,(H,23,27)
InChIKeyXFQATSOXUCJHCP-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.05
Rot. Bonds5

About N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide

N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide (PubChem CID 53111446) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
PubChem CID53111446
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(c2)nnn3Cc2ccc(C)cc2)c1
InChIInChI=1S/C22H20N4O2/c1-15-6-8-16(9-7-15)14-26-21-11-10-17(12-20(21)24-25-26)22(27)23-18-4-3-5-19(13-18)28-2/h3-13H,14H2,1-2H3,(H,23,27)
InChIKeyXFQATSOXUCJHCP-UHFFFAOYSA-N
XLogP4.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide (CID 53111446) is N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide is COc1cccc(NC(=O)c2ccc3c(c2)nnn3Cc2ccc(C)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
The InChIKey is XFQATSOXUCJHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-6-8-16(9-7-15)14-26-21-11-10-17(12-20(21)24-25-26)22(27)23-18-4-3-5-19(13-18)28-2/h3-13H,14H2,1-2H3,(H,23,27).
What are the key properties of N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 53111446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).