3-fluoro-N-(2-methyltetrazol-5-yl)benzamide

C9H8FN5O — CID 647781

IUPAC3-fluoro-N-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C9H8FN5O/c1-15-13-9(12-14-15)11-8(16)6-3-2-4-7(10)5-6/h2-5H,1H3,(H,11,13,16)
InChIKeyBHFSGBOSTXBZPW-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.60
Rot. Bonds2

About 3-fluoro-N-(2-methyltetrazol-5-yl)benzamide

3-fluoro-N-(2-methyltetrazol-5-yl)benzamide (PubChem CID 647781) has the molecular formula C9H8FN5O and a molecular weight of 221.20 g/mol. Its IUPAC name is 3-fluoro-N-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methyltetrazol-5-yl)benzamide
PubChem CID647781
Molecular FormulaC9H8FN5O
Molecular Weight221.20 g/mol
Exact Mass221.07
IUPAC Name3-fluoro-N-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C9H8FN5O/c1-15-13-9(12-14-15)11-8(16)6-3-2-4-7(10)5-6/h2-5H,1H3,(H,11,13,16)
InChIKeyBHFSGBOSTXBZPW-UHFFFAOYSA-N
XLogP0.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of 3-fluoro-N-(2-methyltetrazol-5-yl)benzamide (CID 647781) is 3-fluoro-N-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-methyltetrazol-5-yl)benzamide is Cn1nnc(NC(=O)c2cccc(F)c2)n1.
What is the InChIKey of 3-fluoro-N-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is BHFSGBOSTXBZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5O/c1-15-13-9(12-14-15)11-8(16)6-3-2-4-7(10)5-6/h2-5H,1H3,(H,11,13,16).
What are the key properties of 3-fluoro-N-(2-methyltetrazol-5-yl)benzamide?
3-fluoro-N-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 221.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 647781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).