2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide

C17H15FINO3 — CID 112774643

IUPAC2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C17H15FINO3/c1-10-7-13(19)4-5-15(10)20-17(22)9-23-16-6-3-12(18)8-14(16)11(2)21/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyMLGYCRMLKKSRTJ-UHFFFAOYSA-N
MW427.21 g/mol
LogP3.96
Rot. Bonds5

About 2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide

2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 112774643) has the molecular formula C17H15FINO3 and a molecular weight of 427.21 g/mol. Its IUPAC name is 2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID112774643
Molecular FormulaC17H15FINO3
Molecular Weight427.21 g/mol
Exact Mass427.01
IUPAC Name2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C17H15FINO3/c1-10-7-13(19)4-5-15(10)20-17(22)9-23-16-6-3-12(18)8-14(16)11(2)21/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyMLGYCRMLKKSRTJ-UHFFFAOYSA-N
XLogP3.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.21
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 112778621
2-(2-acetyl-4-fluorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 112774554
2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide
CID 112774602
N-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 26054584
2-(2-acetylphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 7859193
2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide
CID 71628000
2-(3,5-dichlorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide
CID 18281064
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid
CID 60708310
N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604433
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608
N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide
CID 1421738

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide (CID 112774643) is 2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide is CC(=O)c1cc(F)ccc1OCC(=O)Nc1ccc(I)cc1C.
What is the InChIKey of 2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is MLGYCRMLKKSRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FINO3/c1-10-7-13(19)4-5-15(10)20-17(22)9-23-16-6-3-12(18)8-14(16)11(2)21/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide?
2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 427.21 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 112774643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).