N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide

C16H12FN5O2 — CID 71791443

IUPACN-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H12FN5O2/c1-10(23)11-2-6-13(7-3-11)18-16(24)15-19-21-22(20-15)14-8-4-12(17)5-9-14/h2-9H,1H3,(H,18,24)
InChIKeyNSIFQPHMLMGSEI-UHFFFAOYSA-N
MW325.30 g/mol
LogP2.26
Rot. Bonds4

About N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide

N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide (PubChem CID 71791443) has the molecular formula C16H12FN5O2 and a molecular weight of 325.30 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
PubChem CID71791443
Molecular FormulaC16H12FN5O2
Molecular Weight325.30 g/mol
Exact Mass325.10
IUPAC NameN-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H12FN5O2/c1-10(23)11-2-6-13(7-3-11)18-16(24)15-19-21-22(20-15)14-8-4-12(17)5-9-14/h2-9H,1H3,(H,18,24)
InChIKeyNSIFQPHMLMGSEI-UHFFFAOYSA-N
XLogP2.26
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide (CID 71791443) is N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide is CC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide?
The InChIKey is NSIFQPHMLMGSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O2/c1-10(23)11-2-6-13(7-3-11)18-16(24)15-19-21-22(20-15)14-8-4-12(17)5-9-14/h2-9H,1H3,(H,18,24).
What are the key properties of N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide?
N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide has a molecular weight of 325.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide is sourced from PubChem (CID 71791443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).