2-(4-iodophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

C13H15F3INO2 — CID 55762358

IUPAC2-(4-iodophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)COc1ccc(I)cc1
InChIInChI=1S/C13H15F3INO2/c1-2-7-18(9-13(14,15)16)12(19)8-20-11-5-3-10(17)4-6-11/h3-6H,2,7-9H2,1H3
InChIKeyMHKNWFPAIOBUAI-UHFFFAOYSA-N
MW401.17 g/mol
LogP3.47
Rot. Bonds6

About 2-(4-iodophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

2-(4-iodophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55762358) has the molecular formula C13H15F3INO2 and a molecular weight of 401.17 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55762358
Molecular FormulaC13H15F3INO2
Molecular Weight401.17 g/mol
Exact Mass401.01
IUPAC Name2-(4-iodophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)COc1ccc(I)cc1
InChIInChI=1S/C13H15F3INO2/c1-2-7-18(9-13(14,15)16)12(19)8-20-11-5-3-10(17)4-6-11/h3-6H,2,7-9H2,1H3
InChIKeyMHKNWFPAIOBUAI-UHFFFAOYSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.17
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-iodophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (CID 55762358) is 2-(4-iodophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is CCCN(CC(F)(F)F)C(=O)COc1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MHKNWFPAIOBUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3INO2/c1-2-7-18(9-13(14,15)16)12(19)8-20-11-5-3-10(17)4-6-11/h3-6H,2,7-9H2,1H3.
What are the key properties of 2-(4-iodophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-iodophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 401.17 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55762358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).