4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide

C18H18N4O — CID 53008569

IUPAC4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C18H18N4O/c1-13-7-9-15(10-8-13)18(23)19-12-11-16-20-17(22-21-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyCHNMBTFDLONOBZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.75
Rot. Bonds5

About 4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide

4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 53008569) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID53008569
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C18H18N4O/c1-13-7-9-15(10-8-13)18(23)19-12-11-16-20-17(22-21-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyCHNMBTFDLONOBZ-UHFFFAOYSA-N
XLogP2.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 75508286
N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide
CID 50801460
3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 75485072
1-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzotriazole-5-carboxamide
CID 86793946
4-amino-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569636
3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide
CID 53090148
5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole
CID 62504307
2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 75508297
3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 167842332
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide;2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethanamine
CID 158501624
N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 126815135
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 46354883

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 53008569) is 4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of 4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is CHNMBTFDLONOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-7-9-15(10-8-13)18(23)19-12-11-16-20-17(22-21-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide?
4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 306.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 53008569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).