2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide

C11H11F3INO — CID 102470809

IUPAC2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide
SMILESCN(CCc1ccccc1I)C(=O)C(F)(F)F
InChIInChI=1S/C11H11F3INO/c1-16(10(17)11(12,13)14)7-6-8-4-2-3-5-9(8)15/h2-5H,6-7H2,1H3
InChIKeyUYLLFJYIXWNWCJ-UHFFFAOYSA-N
MW357.11 g/mol
LogP2.85
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide

2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide (PubChem CID 102470809) has the molecular formula C11H11F3INO and a molecular weight of 357.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide
PubChem CID102470809
Molecular FormulaC11H11F3INO
Molecular Weight357.11 g/mol
Exact Mass356.98
IUPAC Name2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide
SMILESCN(CCc1ccccc1I)C(=O)C(F)(F)F
InChIInChI=1S/C11H11F3INO/c1-16(10(17)11(12,13)14)7-6-8-4-2-3-5-9(8)15/h2-5H,6-7H2,1H3
InChIKeyUYLLFJYIXWNWCJ-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.11
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 62735211
N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 115190351
2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 58971605
N-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 163724477
3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115154766
2-[(2-iodophenyl)methyl-methylamino]acetic acid
CID 66568489
6-(2-iodophenyl)hexan-3-one
CID 11623608
2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide
CID 91721400
methyl 2-[2-(2-iodophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoate
CID 11070039
2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 61381239
N-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 14391162
1-methyl-1-[2-(2-methylphenyl)ethyl]urea
CID 115168706

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide (CID 102470809) is 2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide is CN(CCc1ccccc1I)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide?
The InChIKey is UYLLFJYIXWNWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3INO/c1-16(10(17)11(12,13)14)7-6-8-4-2-3-5-9(8)15/h2-5H,6-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide?
2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide has a molecular weight of 357.11 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 102470809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).