N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C16H14IN5O — CID 1303765

IUPACN-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3ccccc3I)n2)cc1
InChIInChI=1S/C16H14IN5O/c1-11-6-8-12(9-7-11)16-19-21-22(20-16)10-15(23)18-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyXXNKNIQVEAZXKO-UHFFFAOYSA-N
MW419.23 g/mol
LogP2.89
Rot. Bonds4

About N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 1303765) has the molecular formula C16H14IN5O and a molecular weight of 419.23 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID1303765
Molecular FormulaC16H14IN5O
Molecular Weight419.23 g/mol
Exact Mass419.02
IUPAC NameN-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3ccccc3I)n2)cc1
InChIInChI=1S/C16H14IN5O/c1-11-6-8-12(9-7-11)16-19-21-22(20-16)10-15(23)18-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyXXNKNIQVEAZXKO-UHFFFAOYSA-N
XLogP2.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1169430
2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 24594294
N-(4-chloro-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 9355146
N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 5301595
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 1136557
N-(2,5-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1169429
2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16508183
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239
N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634164
N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465644
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 4774765

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 1303765) is N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)Nc3ccccc3I)n2)cc1.
What is the InChIKey of N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is XXNKNIQVEAZXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14IN5O/c1-11-6-8-12(9-7-11)16-19-21-22(20-16)10-15(23)18-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 419.23 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 1303765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).