[2-(4-fluorophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate

C16H11FN4O3 — CID 24983162

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
SMILESO=C(COC(=O)c1ccccc1-n1cnnn1)c1ccc(F)cc1
InChIInChI=1S/C16H11FN4O3/c17-12-7-5-11(6-8-12)15(22)9-24-16(23)13-3-1-2-4-14(13)21-10-18-19-20-21/h1-8,10H,9H2
InChIKeyHEPAOROGQIBGFE-UHFFFAOYSA-N
MW326.29 g/mol
LogP1.84
Rot. Bonds5

About [2-(4-fluorophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate

[2-(4-fluorophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate (PubChem CID 24983162) has the molecular formula C16H11FN4O3 and a molecular weight of 326.29 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
PubChem CID24983162
Molecular FormulaC16H11FN4O3
Molecular Weight326.29 g/mol
Exact Mass326.08
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
SMILESO=C(COC(=O)c1ccccc1-n1cnnn1)c1ccc(F)cc1
InChIInChI=1S/C16H11FN4O3/c17-12-7-5-11(6-8-12)15(22)9-24-16(23)13-3-1-2-4-14(13)21-10-18-19-20-21/h1-8,10H,9H2
InChIKeyHEPAOROGQIBGFE-UHFFFAOYSA-N
XLogP1.84
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate (CID 24983162) is [2-(4-fluorophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate is O=C(COC(=O)c1ccccc1-n1cnnn1)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
The InChIKey is HEPAOROGQIBGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O3/c17-12-7-5-11(6-8-12)15(22)9-24-16(23)13-3-1-2-4-14(13)21-10-18-19-20-21/h1-8,10H,9H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate has a molecular weight of 326.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 24983162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).