N-(2-ethenyltetrazol-5-yl)-2-(2-fluorophenoxy)acetamide

C11H10FN5O2 — CID 17162789

IUPACN-(2-ethenyltetrazol-5-yl)-2-(2-fluorophenoxy)acetamide
SMILESC=Cn1nnc(NC(=O)COc2ccccc2F)n1
InChIInChI=1S/C11H10FN5O2/c1-2-17-15-11(14-16-17)13-10(18)7-19-9-6-4-3-5-8(9)12/h2-6H,1,7H2,(H,13,15,18)
InChIKeyDUFOGGVJMPLNSJ-UHFFFAOYSA-N
MW263.23 g/mol
LogP0.93
Rot. Bonds5

About N-(2-ethenyltetrazol-5-yl)-2-(2-fluorophenoxy)acetamide

N-(2-ethenyltetrazol-5-yl)-2-(2-fluorophenoxy)acetamide (PubChem CID 17162789) has the molecular formula C11H10FN5O2 and a molecular weight of 263.23 g/mol. Its IUPAC name is N-(2-ethenyltetrazol-5-yl)-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-ethenyltetrazol-5-yl)-2-(2-fluorophenoxy)acetamide
PubChem CID17162789
Molecular FormulaC11H10FN5O2
Molecular Weight263.23 g/mol
Exact Mass263.08
IUPAC NameN-(2-ethenyltetrazol-5-yl)-2-(2-fluorophenoxy)acetamide
SMILESC=Cn1nnc(NC(=O)COc2ccccc2F)n1
InChIInChI=1S/C11H10FN5O2/c1-2-17-15-11(14-16-17)13-10(18)7-19-9-6-4-3-5-8(9)12/h2-6H,1,7H2,(H,13,15,18)
InChIKeyDUFOGGVJMPLNSJ-UHFFFAOYSA-N
XLogP0.93
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyltetrazol-5-yl)-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-(2-ethenyltetrazol-5-yl)-2-(2-fluorophenoxy)acetamide (CID 17162789) is N-(2-ethenyltetrazol-5-yl)-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-(2-ethenyltetrazol-5-yl)-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-(2-ethenyltetrazol-5-yl)-2-(2-fluorophenoxy)acetamide is C=Cn1nnc(NC(=O)COc2ccccc2F)n1.
What is the InChIKey of N-(2-ethenyltetrazol-5-yl)-2-(2-fluorophenoxy)acetamide?
The InChIKey is DUFOGGVJMPLNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O2/c1-2-17-15-11(14-16-17)13-10(18)7-19-9-6-4-3-5-8(9)12/h2-6H,1,7H2,(H,13,15,18).
What are the key properties of N-(2-ethenyltetrazol-5-yl)-2-(2-fluorophenoxy)acetamide?
N-(2-ethenyltetrazol-5-yl)-2-(2-fluorophenoxy)acetamide has a molecular weight of 263.23 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyltetrazol-5-yl)-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 17162789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).