4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide

C21H18N4O — CID 8872279

IUPAC4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(Cn2nnc3ccccc32)cc1
InChIInChI=1S/C21H18N4O/c1-15-6-2-3-7-18(15)22-21(26)17-12-10-16(11-13-17)14-25-20-9-5-4-8-19(20)23-24-25/h2-13H,14H2,1H3,(H,22,26)
InChIKeyJKLZORQUDJQIHW-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.04
Rot. Bonds4

About 4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide

4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide (PubChem CID 8872279) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide
PubChem CID8872279
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(Cn2nnc3ccccc32)cc1
InChIInChI=1S/C21H18N4O/c1-15-6-2-3-7-18(15)22-21(26)17-12-10-16(11-13-17)14-25-20-9-5-4-8-19(20)23-24-25/h2-13H,14H2,1H3,(H,22,26)
InChIKeyJKLZORQUDJQIHW-UHFFFAOYSA-N
XLogP4.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide
CID 27700431
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4-(benzotriazol-1-ylmethyl)-N-[(2S)-5-methylhexan-2-yl]benzamide
CID 51883561
4-(benzotriazol-1-ylmethyl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36907384
4-(benzotriazol-1-ylmethyl)-N-(3-cyanophenyl)benzamide
CID 9083180
[4-[[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 8948581
methyl (2R)-2-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-hydroxypropanoate
CID 9085092
4-(benzotriazol-1-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 9088736
4-(benzotriazol-1-ylmethyl)-N-(3-sulfamoylphenyl)benzamide
CID 9073027
1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 119046922
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111242
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CID 46464969

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide (CID 8872279) is 4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1ccc(Cn2nnc3ccccc32)cc1.
What is the InChIKey of 4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide?
The InChIKey is JKLZORQUDJQIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-15-6-2-3-7-18(15)22-21(26)17-12-10-16(11-13-17)14-25-20-9-5-4-8-19(20)23-24-25/h2-13H,14H2,1H3,(H,22,26).
What are the key properties of 4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide?
4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide has a molecular weight of 342.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 8872279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).