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

C12H14FN5O — CID 47358121

IUPAC2-(5-ethyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCc1nnnn1CC(=O)NCc1ccccc1F
InChIInChI=1S/C12H14FN5O/c1-2-11-15-16-17-18(11)8-12(19)14-7-9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,14,19)
InChIKeyWAGPPZBNJDUNNE-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.69
Rot. Bonds5

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

2-(5-ethyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 47358121) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-(5-ethyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-ethyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID47358121
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name2-(5-ethyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCc1nnnn1CC(=O)NCc1ccccc1F
InChIInChI=1S/C12H14FN5O/c1-2-11-15-16-17-18(11)8-12(19)14-7-9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,14,19)
InChIKeyWAGPPZBNJDUNNE-UHFFFAOYSA-N
XLogP0.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-ethyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide (CID 47358121) is 2-(5-ethyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-ethyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-ethyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide is CCc1nnnn1CC(=O)NCc1ccccc1F.
What is the InChIKey of 2-(5-ethyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is WAGPPZBNJDUNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-2-11-15-16-17-18(11)8-12(19)14-7-9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,14,19).
What are the key properties of 2-(5-ethyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
2-(5-ethyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 263.28 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 47358121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).