N-(4-fluorophenyl)-N-(2H-tetrazol-5-yl)formamide

C8H6FN5O — CID 173164003

IUPACN-(4-fluorophenyl)-N-(2H-tetrazol-5-yl)formamide
SMILESO=CN(c1ccc(F)cc1)c1nn[nH]n1
InChIInChI=1S/C8H6FN5O/c9-6-1-3-7(4-2-6)14(5-15)8-10-12-13-11-8/h1-5H,(H,10,11,12,13)
InChIKeyVAQSAKPCLIHHCM-UHFFFAOYSA-N
MW207.17 g/mol
LogP0.63
Rot. Bonds3

About N-(4-fluorophenyl)-N-(2H-tetrazol-5-yl)formamide

N-(4-fluorophenyl)-N-(2H-tetrazol-5-yl)formamide (PubChem CID 173164003) has the molecular formula C8H6FN5O and a molecular weight of 207.17 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(2H-tetrazol-5-yl)formamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(2H-tetrazol-5-yl)formamide
PubChem CID173164003
Molecular FormulaC8H6FN5O
Molecular Weight207.17 g/mol
Exact Mass207.06
IUPAC NameN-(4-fluorophenyl)-N-(2H-tetrazol-5-yl)formamide
SMILESO=CN(c1ccc(F)cc1)c1nn[nH]n1
InChIInChI=1S/C8H6FN5O/c9-6-1-3-7(4-2-6)14(5-15)8-10-12-13-11-8/h1-5H,(H,10,11,12,13)
InChIKeyVAQSAKPCLIHHCM-UHFFFAOYSA-N
XLogP0.63
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(2H-tetrazol-5-yl)formamide?
The IUPAC name of N-(4-fluorophenyl)-N-(2H-tetrazol-5-yl)formamide (CID 173164003) is N-(4-fluorophenyl)-N-(2H-tetrazol-5-yl)formamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-(2H-tetrazol-5-yl)formamide?
The canonical SMILES for N-(4-fluorophenyl)-N-(2H-tetrazol-5-yl)formamide is O=CN(c1ccc(F)cc1)c1nn[nH]n1.
What is the InChIKey of N-(4-fluorophenyl)-N-(2H-tetrazol-5-yl)formamide?
The InChIKey is VAQSAKPCLIHHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN5O/c9-6-1-3-7(4-2-6)14(5-15)8-10-12-13-11-8/h1-5H,(H,10,11,12,13).
What are the key properties of N-(4-fluorophenyl)-N-(2H-tetrazol-5-yl)formamide?
N-(4-fluorophenyl)-N-(2H-tetrazol-5-yl)formamide has a molecular weight of 207.17 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(2H-tetrazol-5-yl)formamide is sourced from PubChem (CID 173164003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).