2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide

C18H19FINO2 — CID 2979931

IUPAC2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(I)cc2F)cc1
InChIInChI=1S/C18H19FINO2/c1-18(2,3)12-4-7-14(8-5-12)23-11-17(22)21-16-9-6-13(20)10-15(16)19/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyWSTDTIDNRWNFHJ-UHFFFAOYSA-N
MW427.26 g/mol
LogP4.75
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide

2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide (PubChem CID 2979931) has the molecular formula C18H19FINO2 and a molecular weight of 427.26 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide
PubChem CID2979931
Molecular FormulaC18H19FINO2
Molecular Weight427.26 g/mol
Exact Mass427.04
IUPAC Name2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(I)cc2F)cc1
InChIInChI=1S/C18H19FINO2/c1-18(2,3)12-4-7-14(8-5-12)23-11-17(22)21-16-9-6-13(20)10-15(16)19/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyWSTDTIDNRWNFHJ-UHFFFAOYSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.26
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide
CID 2210153
N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 3872466
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91688991
N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 53267565
N-(2-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093259
N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91689000
N-(2,4-difluorophenyl)-2-(4-methylphenoxy)acetamide
CID 755254
2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
CID 1293662
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1185791
N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467631
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855552

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide (CID 2979931) is 2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccc(I)cc2F)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide?
The InChIKey is WSTDTIDNRWNFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FINO2/c1-18(2,3)12-4-7-14(8-5-12)23-11-17(22)21-16-9-6-13(20)10-15(16)19/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide?
2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide has a molecular weight of 427.26 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide is sourced from PubChem (CID 2979931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).