2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide

C17H16FN5O2 — CID 2985193

IUPAC2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2nnc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C17H16FN5O2/c1-25-13-8-6-12(7-9-13)10-19-16(24)11-23-21-17(20-22-23)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyAFSAMXYQOHZEAS-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.80
Rot. Bonds6

About 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 2985193) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID2985193
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2nnc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C17H16FN5O2/c1-25-13-8-6-12(7-9-13)10-19-16(24)11-23-21-17(20-22-23)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyAFSAMXYQOHZEAS-UHFFFAOYSA-N
XLogP1.80
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 2985193) is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cn2nnc(-c3ccccc3F)n2)cc1.
What is the InChIKey of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is AFSAMXYQOHZEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-25-13-8-6-12(7-9-13)10-19-16(24)11-23-21-17(20-22-23)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,24).
What are the key properties of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 341.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2985193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).