N-[(2-ethoxyphenyl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide

C19H20N4O2 — CID 71873306

IUPACN-[(2-ethoxyphenyl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(-n2cncn2)cc1C
InChIInChI=1S/C19H20N4O2/c1-3-25-18-7-5-4-6-15(18)11-21-19(24)17-9-8-16(10-14(17)2)23-13-20-12-22-23/h4-10,12-13H,3,11H2,1-2H3,(H,21,24)
InChIKeyIJOYQMKQIUKZQK-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.90
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide

N-[(2-ethoxyphenyl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 71873306) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID71873306
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(-n2cncn2)cc1C
InChIInChI=1S/C19H20N4O2/c1-3-25-18-7-5-4-6-15(18)11-21-19(24)17-9-8-16(10-14(17)2)23-13-20-12-22-23/h4-10,12-13H,3,11H2,1-2H3,(H,21,24)
InChIKeyIJOYQMKQIUKZQK-UHFFFAOYSA-N
XLogP2.90
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]methyl]benzoic acid
CID 146087508
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111880792
1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide
CID 53332625
2-methyl-3-[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]propanoic acid
CID 119237737
N-[(2-methylphenyl)methyl]-2-[3-(1,2,4-triazol-1-yl)phenoxy]acetamide
CID 71986345
5-(diethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-2-methylbenzamide
CID 60565590
3-ethoxy-4-(2-phenoxyethoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55795864
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 55720357
4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 94472484
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide (CID 71873306) is N-[(2-ethoxyphenyl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide is CCOc1ccccc1CNC(=O)c1ccc(-n2cncn2)cc1C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is IJOYQMKQIUKZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-25-18-7-5-4-6-15(18)11-21-19(24)17-9-8-16(10-14(17)2)23-13-20-12-22-23/h4-10,12-13H,3,11H2,1-2H3,(H,21,24).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide?
N-[(2-ethoxyphenyl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 71873306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).