2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C14H16F3N5O2 — CID 60548314

IUPAC2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(C)(C)c1nnnn1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3N5O2/c1-13(2,3)12-19-20-21-22(12)8-11(23)18-9-4-6-10(7-5-9)24-14(15,16)17/h4-7H,8H2,1-3H3,(H,18,23)
InChIKeyGLUUCZBAGOAASI-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.51
Rot. Bonds4

About 2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 60548314) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID60548314
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(C)(C)c1nnnn1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3N5O2/c1-13(2,3)12-19-20-21-22(12)8-11(23)18-9-4-6-10(7-5-9)24-14(15,16)17/h4-7H,8H2,1-3H3,(H,18,23)
InChIKeyGLUUCZBAGOAASI-UHFFFAOYSA-N
XLogP2.51
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 90542362
2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 47256348
2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 19520566
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
2-(2-hydroxyethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71628791
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8698992
2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 51089388
2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 75390344
2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711309
2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 41376766

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 60548314) is 2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is CC(C)(C)c1nnnn1CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is GLUUCZBAGOAASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c1-13(2,3)12-19-20-21-22(12)8-11(23)18-9-4-6-10(7-5-9)24-14(15,16)17/h4-7H,8H2,1-3H3,(H,18,23).
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 343.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 60548314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).