2-fluoro-N-(2H-tetrazol-5-yl)benzamide

C8H6FN5O — CID 800116

IUPAC2-fluoro-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccccc1F
InChIInChI=1S/C8H6FN5O/c9-6-4-2-1-3-5(6)7(15)10-8-11-13-14-12-8/h1-4H,(H2,10,11,12,13,14,15)
InChIKeyBLVQGLHMGREJDP-UHFFFAOYSA-N
MW207.17 g/mol
LogP0.59
Rot. Bonds2

About 2-fluoro-N-(2H-tetrazol-5-yl)benzamide

2-fluoro-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 800116) has the molecular formula C8H6FN5O and a molecular weight of 207.17 g/mol. Its IUPAC name is 2-fluoro-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2H-tetrazol-5-yl)benzamide
PubChem CID800116
Molecular FormulaC8H6FN5O
Molecular Weight207.17 g/mol
Exact Mass207.06
IUPAC Name2-fluoro-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccccc1F
InChIInChI=1S/C8H6FN5O/c9-6-4-2-1-3-5(6)7(15)10-8-11-13-14-12-8/h1-4H,(H2,10,11,12,13,14,15)
InChIKeyBLVQGLHMGREJDP-UHFFFAOYSA-N
XLogP0.59
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 2-fluoro-N-(2H-tetrazol-5-yl)benzamide (CID 800116) is 2-fluoro-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(2H-tetrazol-5-yl)benzamide is O=C(Nc1nn[nH]n1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is BLVQGLHMGREJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN5O/c9-6-4-2-1-3-5(6)7(15)10-8-11-13-14-12-8/h1-4H,(H2,10,11,12,13,14,15).
What are the key properties of 2-fluoro-N-(2H-tetrazol-5-yl)benzamide?
2-fluoro-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 207.17 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 800116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).