2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide

C22H24F2N4O2 — CID 118962107

IUPAC2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide
SMILESCC(C)(C)c1ccc(CC(=O)Nc2cnn(Cc3ccc(OC(F)F)cc3)n2)cc1
InChIInChI=1S/C22H24F2N4O2/c1-22(2,3)17-8-4-15(5-9-17)12-20(29)26-19-13-25-28(27-19)14-16-6-10-18(11-7-16)30-21(23)24/h4-11,13,21H,12,14H2,1-3H3,(H,26,27,29)
InChIKeyWRWIYMQAQZTQSQ-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.41
Rot. Bonds7

About 2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide

2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide (PubChem CID 118962107) has the molecular formula C22H24F2N4O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide
PubChem CID118962107
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide
SMILESCC(C)(C)c1ccc(CC(=O)Nc2cnn(Cc3ccc(OC(F)F)cc3)n2)cc1
InChIInChI=1S/C22H24F2N4O2/c1-22(2,3)17-8-4-15(5-9-17)12-20(29)26-19-13-25-28(27-19)14-16-6-10-18(11-7-16)30-21(23)24/h4-11,13,21H,12,14H2,1-3H3,(H,26,27,29)
InChIKeyWRWIYMQAQZTQSQ-UHFFFAOYSA-N
XLogP4.41
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]acetamide
CID 118962063
N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide
CID 118962161
N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
CID 118962012
N-(5-chloro-2-pyridinyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 34136582
N-[4-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27147330
2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide
CID 118962040
2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30183967
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094
2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115629978
N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide
CID 126740614
N-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
CID 118962154
2-[4-(difluoromethoxy)phenyl]-N-(4-methylphenyl)acetamide
CID 33142215

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide (CID 118962107) is 2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide is CC(C)(C)c1ccc(CC(=O)Nc2cnn(Cc3ccc(OC(F)F)cc3)n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide?
The InChIKey is WRWIYMQAQZTQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2/c1-22(2,3)17-8-4-15(5-9-17)12-20(29)26-19-13-25-28(27-19)14-16-6-10-18(11-7-16)30-21(23)24/h4-11,13,21H,12,14H2,1-3H3,(H,26,27,29).
What are the key properties of 2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide?
2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide has a molecular weight of 414.46 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide is sourced from PubChem (CID 118962107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).