2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide

C17H15F3INO2 — CID 1293662

IUPAC2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(I)cc2C(F)(F)F)cc1
InChIInChI=1S/C17H15F3INO2/c1-2-11-3-6-13(7-4-11)24-10-16(23)22-15-8-5-12(21)9-14(15)17(18,19)20/h3-9H,2,10H2,1H3,(H,22,23)
InChIKeyOXHYBUBKBWKIKM-UHFFFAOYSA-N
MW449.21 g/mol
LogP4.89
Rot. Bonds5

About 2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide

2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 1293662) has the molecular formula C17H15F3INO2 and a molecular weight of 449.21 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
PubChem CID1293662
Molecular FormulaC17H15F3INO2
Molecular Weight449.21 g/mol
Exact Mass449.01
IUPAC Name2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(I)cc2C(F)(F)F)cc1
InChIInChI=1S/C17H15F3INO2/c1-2-11-3-6-13(7-4-11)24-10-16(23)22-15-8-5-12(21)9-14(15)17(18,19)20/h3-9H,2,10H2,1H3,(H,22,23)
InChIKeyOXHYBUBKBWKIKM-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.21
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
CID 3360136
N-[4-iodo-2-(trifluoromethyl)phenyl]-4-propoxybenzamide
CID 3657897
2-(4-chlorophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 1352117
2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
CID 5111404
2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 9095297
2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide
CID 2979931
2-(4-ethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 804157
N-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 2954028
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1321750
3-butoxy-N-[4-iodo-2-(trifluoromethyl)phenyl]benzamide
CID 3875364
N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 4317523
N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
CID 104857091

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide (CID 1293662) is 2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide is CCc1ccc(OCC(=O)Nc2ccc(I)cc2C(F)(F)F)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OXHYBUBKBWKIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3INO2/c1-2-11-3-6-13(7-4-11)24-10-16(23)22-15-8-5-12(21)9-14(15)17(18,19)20/h3-9H,2,10H2,1H3,(H,22,23).
What are the key properties of 2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide?
2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 449.21 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1293662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).