N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

C20H22N4O — CID 51306669

IUPACN-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)cc1
InChIInChI=1S/C20H22N4O/c1-20(2,3)17-8-10-18(11-9-17)23-19(25)16-6-4-15(5-7-16)12-24-14-21-13-22-24/h4-11,13-14H,12H2,1-3H3,(H,23,25)
InChIKeyIQAXHCQQMMGCKS-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.88
Rot. Bonds4

About N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 51306669) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID51306669
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)cc1
InChIInChI=1S/C20H22N4O/c1-20(2,3)17-8-10-18(11-9-17)23-19(25)16-6-4-15(5-7-16)12-24-14-21-13-22-24/h4-11,13-14H,12H2,1-3H3,(H,23,25)
InChIKeyIQAXHCQQMMGCKS-UHFFFAOYSA-N
XLogP3.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
ethyl 4-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]benzoate
CID 42063924
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 30873270
3-tert-butyl-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 78898253
4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 31957653
N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43038170
N-(3-iodo-4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24590803
3-chloro-2,2-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 63679034
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 43073180
N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18152748
2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62832697
1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide
CID 71706483

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 51306669) is N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is CC(C)(C)c1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is IQAXHCQQMMGCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-20(2,3)17-8-10-18(11-9-17)23-19(25)16-6-4-15(5-7-16)12-24-14-21-13-22-24/h4-11,13-14H,12H2,1-3H3,(H,23,25).
What are the key properties of N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 51306669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).