2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide

C17H15F3INO2 — CID 3360136

IUPAC2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(I)cc2C(F)(F)F)cc1C
InChIInChI=1S/C17H15F3INO2/c1-10-3-5-13(7-11(10)2)24-9-16(23)22-15-6-4-12(21)8-14(15)17(18,19)20/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyUPEHTNLVHNOFBW-UHFFFAOYSA-N
MW449.21 g/mol
LogP4.94
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide

2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 3360136) has the molecular formula C17H15F3INO2 and a molecular weight of 449.21 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
PubChem CID3360136
Molecular FormulaC17H15F3INO2
Molecular Weight449.21 g/mol
Exact Mass449.01
IUPAC Name2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(I)cc2C(F)(F)F)cc1C
InChIInChI=1S/C17H15F3INO2/c1-10-3-5-13(7-11(10)2)24-9-16(23)22-15-6-4-12(21)8-14(15)17(18,19)20/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyUPEHTNLVHNOFBW-UHFFFAOYSA-N
XLogP4.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.21
LogP ≤ 54.94
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

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1321750
2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
CID 1293662
2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
CID 5111404
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557
2-(4-chlorophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 1352117
N-(4-amino-2-methylphenyl)-2-(4-iodophenoxy)acetamide
CID 43144731
N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2554397
2-(3,5-dichlorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide
CID 18281064
N-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 2954028
N-[4-iodo-2-(trifluoromethyl)phenyl]-4-propoxybenzamide
CID 3657897
N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 134019332

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide (CID 3360136) is 2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(I)cc2C(F)(F)F)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UPEHTNLVHNOFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3INO2/c1-10-3-5-13(7-11(10)2)24-9-16(23)22-15-6-4-12(21)8-14(15)17(18,19)20/h3-8H,9H2,1-2H3,(H,22,23).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 449.21 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3360136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).