2-(5-tert-butyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide

C14H18FN5O — CID 51089386

IUPAC2-(5-tert-butyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(C)(C)c1nnnn1CC(=O)NCc1ccccc1F
InChIInChI=1S/C14H18FN5O/c1-14(2,3)13-17-18-19-20(13)9-12(21)16-8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,16,21)
InChIKeyAXLMGDBIDJKJAZ-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.43
Rot. Bonds4

About 2-(5-tert-butyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide

2-(5-tert-butyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 51089386) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID51089386
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(C)(C)c1nnnn1CC(=O)NCc1ccccc1F
InChIInChI=1S/C14H18FN5O/c1-14(2,3)13-17-18-19-20(13)9-12(21)16-8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,16,21)
InChIKeyAXLMGDBIDJKJAZ-UHFFFAOYSA-N
XLogP1.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide (CID 51089386) is 2-(5-tert-butyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide is CC(C)(C)c1nnnn1CC(=O)NCc1ccccc1F.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is AXLMGDBIDJKJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-14(2,3)13-17-18-19-20(13)9-12(21)16-8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,16,21).
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
2-(5-tert-butyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 291.33 g/mol, XLogP of 1.43, 4 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-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 51089386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).