4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide

C16H13FN6O2 — CID 7491286

IUPAC4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cn2nnc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C16H13FN6O2/c17-12-3-1-2-11(8-12)16-20-22-23(21-16)9-14(24)19-13-6-4-10(5-7-13)15(18)25/h1-8H,9H2,(H2,18,25)(H,19,24)
InChIKeyLMAUQYMLMYXTSJ-UHFFFAOYSA-N
MW340.32 g/mol
LogP1.22
Rot. Bonds5

About 4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide

4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide (PubChem CID 7491286) has the molecular formula C16H13FN6O2 and a molecular weight of 340.32 g/mol. Its IUPAC name is 4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide
PubChem CID7491286
Molecular FormulaC16H13FN6O2
Molecular Weight340.32 g/mol
Exact Mass340.11
IUPAC Name4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cn2nnc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C16H13FN6O2/c17-12-3-1-2-11(8-12)16-20-22-23(21-16)9-14(24)19-13-6-4-10(5-7-13)15(18)25/h1-8H,9H2,(H2,18,25)(H,19,24)
InChIKeyLMAUQYMLMYXTSJ-UHFFFAOYSA-N
XLogP1.22
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7491173
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide
CID 8023934
2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221
N-(5-fluoro-2-methylphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 18171626
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7491301
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 30823164
1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
CID 8676792
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17405916
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-N-(3-fluorophenyl)acetamide
CID 19798541
N-(2,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7490967
N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 41436763

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide (CID 7491286) is 4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)Cn2nnc(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of 4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide?
The InChIKey is LMAUQYMLMYXTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O2/c17-12-3-1-2-11(8-12)16-20-22-23(21-16)9-14(24)19-13-6-4-10(5-7-13)15(18)25/h1-8H,9H2,(H2,18,25)(H,19,24).
What are the key properties of 4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide?
4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide has a molecular weight of 340.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide is sourced from PubChem (CID 7491286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).