N-(3-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C15H12FN5O2 — CID 863096

IUPACN-(3-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H12FN5O2/c16-11-3-1-4-12(7-11)18-15(22)9-23-14-6-2-5-13(8-14)21-10-17-19-20-21/h1-8,10H,9H2,(H,18,22)
InChIKeyWYJGXRSIFYTXAV-UHFFFAOYSA-N
MW313.29 g/mol
LogP1.82
Rot. Bonds5

About N-(3-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-(3-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 863096) has the molecular formula C15H12FN5O2 and a molecular weight of 313.29 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID863096
Molecular FormulaC15H12FN5O2
Molecular Weight313.29 g/mol
Exact Mass313.10
IUPAC NameN-(3-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H12FN5O2/c16-11-3-1-4-12(7-11)18-15(22)9-23-14-6-2-5-13(8-14)21-10-17-19-20-21/h1-8,10H,9H2,(H,18,22)
InChIKeyWYJGXRSIFYTXAV-UHFFFAOYSA-N
XLogP1.82
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 863096) is N-(3-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1cccc(-n2cnnn2)c1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is WYJGXRSIFYTXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O2/c16-11-3-1-4-12(7-11)18-15(22)9-23-14-6-2-5-13(8-14)21-10-17-19-20-21/h1-8,10H,9H2,(H,18,22).
What are the key properties of N-(3-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-(3-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 313.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 863096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).