4-[5-(4-fluorophenoxy)tetrazol-1-yl]benzamide

C14H10FN5O2 — CID 934872

IUPAC4-[5-(4-fluorophenoxy)tetrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nnnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C14H10FN5O2/c15-10-3-7-12(8-4-10)22-14-17-18-19-20(14)11-5-1-9(2-6-11)13(16)21/h1-8H,(H2,16,21)
InChIKeyNGWRXDQJMRTHLO-UHFFFAOYSA-N
MW299.27 g/mol
LogP1.69
Rot. Bonds4

About 4-[5-(4-fluorophenoxy)tetrazol-1-yl]benzamide

4-[5-(4-fluorophenoxy)tetrazol-1-yl]benzamide (PubChem CID 934872) has the molecular formula C14H10FN5O2 and a molecular weight of 299.27 g/mol. Its IUPAC name is 4-[5-(4-fluorophenoxy)tetrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenoxy)tetrazol-1-yl]benzamide
PubChem CID934872
Molecular FormulaC14H10FN5O2
Molecular Weight299.27 g/mol
Exact Mass299.08
IUPAC Name4-[5-(4-fluorophenoxy)tetrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nnnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C14H10FN5O2/c15-10-3-7-12(8-4-10)22-14-17-18-19-20(14)11-5-1-9(2-6-11)13(16)21/h1-8H,(H2,16,21)
InChIKeyNGWRXDQJMRTHLO-UHFFFAOYSA-N
XLogP1.69
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenoxy)tetrazol-1-yl]benzamide?
The IUPAC name of 4-[5-(4-fluorophenoxy)tetrazol-1-yl]benzamide (CID 934872) is 4-[5-(4-fluorophenoxy)tetrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-(4-fluorophenoxy)tetrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-(4-fluorophenoxy)tetrazol-1-yl]benzamide is NC(=O)c1ccc(-n2nnnc2Oc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenoxy)tetrazol-1-yl]benzamide?
The InChIKey is NGWRXDQJMRTHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O2/c15-10-3-7-12(8-4-10)22-14-17-18-19-20(14)11-5-1-9(2-6-11)13(16)21/h1-8H,(H2,16,21).
What are the key properties of 4-[5-(4-fluorophenoxy)tetrazol-1-yl]benzamide?
4-[5-(4-fluorophenoxy)tetrazol-1-yl]benzamide has a molecular weight of 299.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenoxy)tetrazol-1-yl]benzamide is sourced from PubChem (CID 934872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).