2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(4-ethylphenyl)acetamide

C17H18N6O — CID 858730

IUPAC2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)cc1
InChIInChI=1S/C17H18N6O/c1-2-12-7-9-13(10-8-12)19-16(24)11-23-21-17(20-22-23)14-5-3-4-6-15(14)18/h3-10H,2,11,18H2,1H3,(H,19,24)
InChIKeyXJKKZSDTZZWQAX-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.12
Rot. Bonds5

About 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(4-ethylphenyl)acetamide

2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 858730) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(4-ethylphenyl)acetamide
PubChem CID858730
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)cc1
InChIInChI=1S/C17H18N6O/c1-2-12-7-9-13(10-8-12)19-16(24)11-23-21-17(20-22-23)14-5-3-4-6-15(14)18/h3-10H,2,11,18H2,1H3,(H,19,24)
InChIKeyXJKKZSDTZZWQAX-UHFFFAOYSA-N
XLogP2.12
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(4-ethylphenyl)acetamide (CID 858730) is 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)cc1.
What is the InChIKey of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is XJKKZSDTZZWQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-2-12-7-9-13(10-8-12)19-16(24)11-23-21-17(20-22-23)14-5-3-4-6-15(14)18/h3-10H,2,11,18H2,1H3,(H,19,24).
What are the key properties of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(4-ethylphenyl)acetamide?
2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 858730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).