N-[2-(4-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide

C17H16FN5O2 — CID 2090859

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-n2cnnn2)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16FN5O2/c18-14-3-1-13(2-4-14)9-10-19-17(24)11-25-16-7-5-15(6-8-16)23-12-20-21-22-23/h1-8,12H,9-11H2,(H,19,24)
InChIKeySXSQLYWPKZFHAS-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.54
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 2090859) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID2090859
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-n2cnnn2)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16FN5O2/c18-14-3-1-13(2-4-14)9-10-19-17(24)11-25-16-7-5-15(6-8-16)23-12-20-21-22-23/h1-8,12H,9-11H2,(H,19,24)
InChIKeySXSQLYWPKZFHAS-UHFFFAOYSA-N
XLogP1.54
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 2090859) is N-[2-(4-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1ccc(-n2cnnn2)cc1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is SXSQLYWPKZFHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c18-14-3-1-13(2-4-14)9-10-19-17(24)11-25-16-7-5-15(6-8-16)23-12-20-21-22-23/h1-8,12H,9-11H2,(H,19,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 341.35 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 2090859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).