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

C16H15N5O2 — CID 855858

IUPAC2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-phenylacetamide
SMILESCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C16H15N5O2/c1-23-14-9-7-12(8-10-14)16-18-20-21(19-16)11-15(22)17-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,22)
InChIKeyAARJAUGVKVDRTO-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.99
Rot. Bonds5

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

2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-phenylacetamide (PubChem CID 855858) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-phenylacetamide
PubChem CID855858
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-phenylacetamide
SMILESCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C16H15N5O2/c1-23-14-9-7-12(8-10-14)16-18-20-21(19-16)11-15(22)17-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,22)
InChIKeyAARJAUGVKVDRTO-UHFFFAOYSA-N
XLogP1.99
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-phenylacetamide (CID 855858) is 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-phenylacetamide is COc1ccc(-c2nnn(CC(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-phenylacetamide?
The InChIKey is AARJAUGVKVDRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-23-14-9-7-12(8-10-14)16-18-20-21(19-16)11-15(22)17-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,22).
What are the key properties of 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-phenylacetamide?
2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-phenylacetamide has a molecular weight of 309.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 855858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).