N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide

C17H16N4O3 — CID 18104017

IUPACN-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)c(OC)c1
InChIInChI=1S/C17H16N4O3/c1-23-14-7-8-15(16(9-14)24-2)20-17(22)12-3-5-13(6-4-12)21-11-18-10-19-21/h3-11H,1-2H3,(H,20,22)
InChIKeyHUENASGAMYCGHS-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.54
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide

N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 18104017) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID18104017
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)c(OC)c1
InChIInChI=1S/C17H16N4O3/c1-23-14-7-8-15(16(9-14)24-2)20-17(22)12-3-5-13(6-4-12)21-11-18-10-19-21/h3-11H,1-2H3,(H,20,22)
InChIKeyHUENASGAMYCGHS-UHFFFAOYSA-N
XLogP2.54
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide
CID 24536376
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide
CID 55604797
1-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)pyrazole-4-carboxamide
CID 46488849
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 50772604
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 7693958
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
4-(diethylamino)-N-(2,4-dimethoxyphenyl)benzamide
CID 9120164
N-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 78803403
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide (CID 18104017) is N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide is COc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is HUENASGAMYCGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-14-7-8-15(16(9-14)24-2)20-17(22)12-3-5-13(6-4-12)21-11-18-10-19-21/h3-11H,1-2H3,(H,20,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide?
N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 324.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 18104017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).