N-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide

C17H16N4O — CID 99162356

IUPACN-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2cccc(-n3cncn3)c2)c1
InChIInChI=1S/C17H16N4O/c1-12-6-7-13(2)16(8-12)20-17(22)14-4-3-5-15(9-14)21-11-18-10-19-21/h3-11H,1-2H3,(H,20,22)
InChIKeyICTNWSFAVXQUIB-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.14
Rot. Bonds3

About N-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide

N-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide (PubChem CID 99162356) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide
PubChem CID99162356
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2cccc(-n3cncn3)c2)c1
InChIInChI=1S/C17H16N4O/c1-12-6-7-13(2)16(8-12)20-17(22)14-4-3-5-15(9-14)21-11-18-10-19-21/h3-11H,1-2H3,(H,20,22)
InChIKeyICTNWSFAVXQUIB-UHFFFAOYSA-N
XLogP3.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 17405245
ethane;3-(1,2,4-triazol-1-yl)benzoic acid
CID 168912092
N-(2-methyl-5-nitrophenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 51192107
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119630093
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide
CID 111483214
N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119524675
N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55795833
2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide
CID 24513990
3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 60927071
N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281305
4-methyl-2-[[[3-(1,2,4-triazol-1-yl)benzoyl]amino]methyl]pentanoic acid
CID 119252775

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide (CID 99162356) is N-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide is Cc1ccc(C)c(NC(=O)c2cccc(-n3cncn3)c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is ICTNWSFAVXQUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-6-7-13(2)16(8-12)20-17(22)14-4-3-5-15(9-14)21-11-18-10-19-21/h3-11H,1-2H3,(H,20,22).
What are the key properties of N-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide?
N-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 292.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 99162356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).