2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide

C13H16FN5O — CID 47256348

IUPAC2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide
SMILESCC(C)(C)c1nnnn1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H16FN5O/c1-13(2,3)12-16-17-18-19(12)8-11(20)15-10-6-4-5-9(14)7-10/h4-7H,8H2,1-3H3,(H,15,20)
InChIKeyLDMCOQQMHQPOEE-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.75
Rot. Bonds3

About 2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide

2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide (PubChem CID 47256348) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide
PubChem CID47256348
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide
SMILESCC(C)(C)c1nnnn1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H16FN5O/c1-13(2,3)12-16-17-18-19(12)8-11(20)15-10-6-4-5-9(14)7-10/h4-7H,8H2,1-3H3,(H,15,20)
InChIKeyLDMCOQQMHQPOEE-UHFFFAOYSA-N
XLogP1.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide
CID 60548282
2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 60548379
dimethyl 1-[2-(3-fluoroanilino)-2-oxoethyl]triazole-4,5-dicarboxylate
CID 4208435
N-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774438
2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 51089388
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56821086
N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499400
2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 115616714
1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502590
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-fluorophenyl)acetamide
CID 122278424
2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 829145

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide (CID 47256348) is 2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide is CC(C)(C)c1nnnn1CC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide?
The InChIKey is LDMCOQQMHQPOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-13(2,3)12-16-17-18-19(12)8-11(20)15-10-6-4-5-9(14)7-10/h4-7H,8H2,1-3H3,(H,15,20).
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide?
2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide has a molecular weight of 277.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 47256348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).