2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide

C15H12FN5O — CID 7491258

IUPAC2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)Nc1ccccc1
InChIInChI=1S/C15H12FN5O/c16-12-6-4-5-11(9-12)15-18-20-21(19-15)10-14(22)17-13-7-2-1-3-8-13/h1-9H,10H2,(H,17,22)
InChIKeyPUZBERGQBVQGCG-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.12
Rot. Bonds4

About 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide

2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide (PubChem CID 7491258) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
PubChem CID7491258
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)Nc1ccccc1
InChIInChI=1S/C15H12FN5O/c16-12-6-4-5-11(9-12)15-18-20-21(19-15)10-14(22)17-13-7-2-1-3-8-13/h1-9H,10H2,(H,17,22)
InChIKeyPUZBERGQBVQGCG-UHFFFAOYSA-N
XLogP2.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide (CID 7491258) is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide is O=C(Cn1nnc(-c2cccc(F)c2)n1)Nc1ccccc1.
What is the InChIKey of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide?
The InChIKey is PUZBERGQBVQGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O/c16-12-6-4-5-11(9-12)15-18-20-21(19-15)10-14(22)17-13-7-2-1-3-8-13/h1-9H,10H2,(H,17,22).
What are the key properties of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide?
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide has a molecular weight of 297.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 7491258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).