N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide

C18H18N4O — CID 46394848

IUPACN-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCc1ccc(CNC(=O)c2cccc(Cn3cncn3)c2)cc1
InChIInChI=1S/C18H18N4O/c1-14-5-7-15(8-6-14)10-20-18(23)17-4-2-3-16(9-17)11-22-13-19-12-21-22/h2-9,12-13H,10-11H2,1H3,(H,20,23)
InChIKeyLBWCQNUELBRYNH-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.56
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide

N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 46394848) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID46394848
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCc1ccc(CNC(=O)c2cccc(Cn3cncn3)c2)cc1
InChIInChI=1S/C18H18N4O/c1-14-5-7-15(8-6-14)10-20-18(23)17-4-2-3-16(9-17)11-22-13-19-12-21-22/h2-9,12-13H,10-11H2,1H3,(H,20,23)
InChIKeyLBWCQNUELBRYNH-UHFFFAOYSA-N
XLogP2.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55867992
3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55751554
3-(4-methylphenyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55751519
3-(1,2,4-triazol-1-ylmethyl)benzoic acid
CID 3159713
3-(1,2,4-triazol-1-ylmethyl)benzoate
CID 7219985
2,6-dimethyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide
CID 18132304
3-fluoro-4-methyl-N-[2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoylamino]ethyl]benzamide
CID 55793823
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132522
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55867336
N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
CID 166366217
4-[(S)-methylsulfinyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 94588492
2-[(4-methylphenyl)methylsulfanyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 18132336

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide (CID 46394848) is N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide is Cc1ccc(CNC(=O)c2cccc(Cn3cncn3)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is LBWCQNUELBRYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-14-5-7-15(8-6-14)10-20-18(23)17-4-2-3-16(9-17)11-22-13-19-12-21-22/h2-9,12-13H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 306.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 46394848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).