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

C15H11FIN5O — CID 1361080

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-iodophenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccc(I)cc1
InChIInChI=1S/C15H11FIN5O/c16-11-3-1-10(2-4-11)15-19-21-22(20-15)9-14(23)18-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,23)
InChIKeyAUORIQZIEXRFKW-UHFFFAOYSA-N
MW423.19 g/mol
LogP2.72
Rot. Bonds4

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

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-iodophenyl)acetamide (PubChem CID 1361080) has the molecular formula C15H11FIN5O and a molecular weight of 423.19 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-iodophenyl)acetamide
PubChem CID1361080
Molecular FormulaC15H11FIN5O
Molecular Weight423.19 g/mol
Exact Mass423.00
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-iodophenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccc(I)cc1
InChIInChI=1S/C15H11FIN5O/c16-11-3-1-10(2-4-11)15-19-21-22(20-15)9-14(23)18-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,23)
InChIKeyAUORIQZIEXRFKW-UHFFFAOYSA-N
XLogP2.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-iodophenyl)acetamide (CID 1361080) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-iodophenyl)acetamide is O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccc(I)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-iodophenyl)acetamide?
The InChIKey is AUORIQZIEXRFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FIN5O/c16-11-3-1-10(2-4-11)15-19-21-22(20-15)9-14(23)18-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,23).
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-iodophenyl)acetamide?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-iodophenyl)acetamide has a molecular weight of 423.19 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 1361080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).