2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide

C11H11F3INO2 — CID 22292772

IUPAC2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(I)c(CCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C11H11F3INO2/c1-18-8-2-3-9(15)7(6-8)4-5-16-10(17)11(12,13)14/h2-3,6H,4-5H2,1H3,(H,16,17)
InChIKeyVEMUEECVVGWXHA-UHFFFAOYSA-N
MW373.11 g/mol
LogP2.52
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide (PubChem CID 22292772) has the molecular formula C11H11F3INO2 and a molecular weight of 373.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide
PubChem CID22292772
Molecular FormulaC11H11F3INO2
Molecular Weight373.11 g/mol
Exact Mass372.98
IUPAC Name2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(I)c(CCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C11H11F3INO2/c1-18-8-2-3-9(15)7(6-8)4-5-16-10(17)11(12,13)14/h2-3,6H,4-5H2,1H3,(H,16,17)
InChIKeyVEMUEECVVGWXHA-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.11
LogP ≤ 52.52
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

2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide
CID 101098567
N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide
CID 53465746
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]-N-(3-methylbut-2-enyl)acetamide
CID 86760842
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide
CID 14025499
N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
CID 14566888
N-[3-(2-amino-5-methoxyphenyl)-3-oxopropyl]-2,2,2-trifluoroacetamide
CID 162537495
2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
CID 2933838
N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide
CID 11026837
ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide
CID 143097704
2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide
CID 18947290

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide (CID 22292772) is 2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide is COc1ccc(I)c(CCNC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide?
The InChIKey is VEMUEECVVGWXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3INO2/c1-18-8-2-3-9(15)7(6-8)4-5-16-10(17)11(12,13)14/h2-3,6H,4-5H2,1H3,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide has a molecular weight of 373.11 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 22292772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).