N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide

C17H16FN5O3 — CID 27451445

IUPACN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C17H16FN5O3/c1-25-14-4-2-3-5-15(14)26-11-17(24)19-10-16-20-21-22-23(16)13-8-6-12(18)7-9-13/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyUUOHOPXNQFDVKO-UHFFFAOYSA-N
MW357.35 g/mol
LogP1.51
Rot. Bonds7

About N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide

N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 27451445) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID27451445
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C17H16FN5O3/c1-25-14-4-2-3-5-15(14)26-11-17(24)19-10-16-20-21-22-23(16)13-8-6-12(18)7-9-13/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyUUOHOPXNQFDVKO-UHFFFAOYSA-N
XLogP1.51
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide (CID 27451445) is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCc1nnnn1-c1ccc(F)cc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is UUOHOPXNQFDVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c1-25-14-4-2-3-5-15(14)26-11-17(24)19-10-16-20-21-22-23(16)13-8-6-12(18)7-9-13/h2-9H,10-11H2,1H3,(H,19,24).
What are the key properties of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 357.35 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 27451445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).