2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide

C15H12FN5O — CID 860418

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccccc1
InChIInChI=1S/C15H12FN5O/c16-12-8-6-11(7-9-12)15-18-20-21(19-15)10-14(22)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,22)
InChIKeyJRGLCIXQTWPLGA-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.12
Rot. Bonds4

About 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide (PubChem CID 860418) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
PubChem CID860418
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccccc1
InChIInChI=1S/C15H12FN5O/c16-12-8-6-11(7-9-12)15-18-20-21(19-15)10-14(22)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,22)
InChIKeyJRGLCIXQTWPLGA-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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Related Compounds

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7713296
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide
CID 860998
dimethyl 5-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 7713251
N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide
CID 7489526
N-(4-fluorophenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1166105
N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 9355676
N-(2,3-dihydro-1H-inden-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 1454628
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508157
N-(4-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634205
N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide (CID 860418) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide is O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccccc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide?
The InChIKey is JRGLCIXQTWPLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O/c16-12-8-6-11(7-9-12)15-18-20-21(19-15)10-14(22)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,22).
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide?
2-[5-(4-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-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 860418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).