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

C13H16FN5O — CID 30823164

IUPAC2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1nnc(-c2cccc(F)c2)n1
InChIInChI=1S/C13H16FN5O/c1-9(2)7-15-12(20)8-19-17-13(16-18-19)10-4-3-5-11(14)6-10/h3-6,9H,7-8H2,1-2H3,(H,15,20)
InChIKeyXLQAAWVFHPREPK-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.25
Rot. Bonds5

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

2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide (PubChem CID 30823164) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
PubChem CID30823164
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1nnc(-c2cccc(F)c2)n1
InChIInChI=1S/C13H16FN5O/c1-9(2)7-15-12(20)8-19-17-13(16-18-19)10-4-3-5-11(14)6-10/h3-6,9H,7-8H2,1-2H3,(H,15,20)
InChIKeyXLQAAWVFHPREPK-UHFFFAOYSA-N
XLogP1.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 7465882
N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 41436763
N-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7491021
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7491301
2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17405916
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide
CID 8586996
N-(5-fluoro-2-methylphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 18171626
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 46583399
1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
CID 8676792
N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7491173
4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 7491286

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide (CID 30823164) is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1nnc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is XLQAAWVFHPREPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-9(2)7-15-12(20)8-19-17-13(16-18-19)10-4-3-5-11(14)6-10/h3-6,9H,7-8H2,1-2H3,(H,15,20).
What are the key properties of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide?
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 277.30 g/mol, XLogP of 1.25, 5 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 30823164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).