3-fluoro-4-iodo-N-(2H-tetrazol-5-yl)benzamide

C8H5FIN5O — CID 56826853

IUPAC3-fluoro-4-iodo-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccc(I)c(F)c1
InChIInChI=1S/C8H5FIN5O/c9-5-3-4(1-2-6(5)10)7(16)11-8-12-14-15-13-8/h1-3H,(H2,11,12,13,14,15,16)
InChIKeyRMCDUQUSXOCJEQ-UHFFFAOYSA-N
MW333.06 g/mol
LogP1.20
Rot. Bonds2

About 3-fluoro-4-iodo-N-(2H-tetrazol-5-yl)benzamide

3-fluoro-4-iodo-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 56826853) has the molecular formula C8H5FIN5O and a molecular weight of 333.06 g/mol. Its IUPAC name is 3-fluoro-4-iodo-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-iodo-N-(2H-tetrazol-5-yl)benzamide
PubChem CID56826853
Molecular FormulaC8H5FIN5O
Molecular Weight333.06 g/mol
Exact Mass332.95
IUPAC Name3-fluoro-4-iodo-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccc(I)c(F)c1
InChIInChI=1S/C8H5FIN5O/c9-5-3-4(1-2-6(5)10)7(16)11-8-12-14-15-13-8/h1-3H,(H2,11,12,13,14,15,16)
InChIKeyRMCDUQUSXOCJEQ-UHFFFAOYSA-N
XLogP1.20
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.06
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-iodo-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 3-fluoro-4-iodo-N-(2H-tetrazol-5-yl)benzamide (CID 56826853) is 3-fluoro-4-iodo-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-iodo-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 3-fluoro-4-iodo-N-(2H-tetrazol-5-yl)benzamide is O=C(Nc1nn[nH]n1)c1ccc(I)c(F)c1.
What is the InChIKey of 3-fluoro-4-iodo-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is RMCDUQUSXOCJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FIN5O/c9-5-3-4(1-2-6(5)10)7(16)11-8-12-14-15-13-8/h1-3H,(H2,11,12,13,14,15,16).
What are the key properties of 3-fluoro-4-iodo-N-(2H-tetrazol-5-yl)benzamide?
3-fluoro-4-iodo-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 333.06 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-iodo-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 56826853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).