N-(2-fluoro-4-iodophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C18H19FINO2 — CID 1256100

IUPACN-(2-fluoro-4-iodophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccc(I)cc2F)c1
InChIInChI=1S/C18H19FINO2/c1-11(2)14-6-4-12(3)8-17(14)23-10-18(22)21-16-7-5-13(20)9-15(16)19/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyFICYXTPTZXHMTJ-UHFFFAOYSA-N
MW427.26 g/mol
LogP4.88
Rot. Bonds5

About N-(2-fluoro-4-iodophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(2-fluoro-4-iodophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 1256100) has the molecular formula C18H19FINO2 and a molecular weight of 427.26 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-iodophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID1256100
Molecular FormulaC18H19FINO2
Molecular Weight427.26 g/mol
Exact Mass427.04
IUPAC NameN-(2-fluoro-4-iodophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccc(I)cc2F)c1
InChIInChI=1S/C18H19FINO2/c1-11(2)14-6-4-12(3)8-17(14)23-10-18(22)21-16-7-5-13(20)9-15(16)19/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyFICYXTPTZXHMTJ-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.26
LogP ≤ 54.88
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-(2-amino-4-chlorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 91689013
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839335
N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7948552
2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 4863455
2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 18272936
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)acetamide
CID 7929961
N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1020008
N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 959796
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
2-(2-ethoxyphenoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 8893933
N-[2-(difluoromethylsulfonyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 8916886
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 42963024

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-iodophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-fluoro-4-iodophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 1256100) is N-(2-fluoro-4-iodophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-fluoro-4-iodophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-fluoro-4-iodophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(I)cc2F)c1.
What is the InChIKey of N-(2-fluoro-4-iodophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is FICYXTPTZXHMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FINO2/c1-11(2)14-6-4-12(3)8-17(14)23-10-18(22)21-16-7-5-13(20)9-15(16)19/h4-9,11H,10H2,1-3H3,(H,21,22).
What are the key properties of N-(2-fluoro-4-iodophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(2-fluoro-4-iodophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 427.26 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-iodophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 1256100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).