4-fluoro-N-(2-propyltetrazol-5-yl)benzamide

C11H12FN5O — CID 900462

IUPAC4-fluoro-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C11H12FN5O/c1-2-7-17-15-11(14-16-17)13-10(18)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,15,18)
InChIKeyRSIAOGOWFKOBQG-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.47
Rot. Bonds4

About 4-fluoro-N-(2-propyltetrazol-5-yl)benzamide

4-fluoro-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 900462) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 4-fluoro-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID900462
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name4-fluoro-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C11H12FN5O/c1-2-7-17-15-11(14-16-17)13-10(18)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,15,18)
InChIKeyRSIAOGOWFKOBQG-UHFFFAOYSA-N
XLogP1.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 4-fluoro-N-(2-propyltetrazol-5-yl)benzamide (CID 900462) is 4-fluoro-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 4-fluoro-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is RSIAOGOWFKOBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c1-2-7-17-15-11(14-16-17)13-10(18)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,15,18).
What are the key properties of 4-fluoro-N-(2-propyltetrazol-5-yl)benzamide?
4-fluoro-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 249.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 900462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).