N-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide

C18H20INO2 — CID 1018410

IUPACN-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(I)cc1C(C)C
InChIInChI=1S/C18H20INO2/c1-12(2)15-10-14(19)8-9-16(15)20-18(21)11-22-17-7-5-4-6-13(17)3/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyCFKIZFWXNRLEEX-UHFFFAOYSA-N
MW409.27 g/mol
LogP4.74
Rot. Bonds5

About N-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide

N-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide (PubChem CID 1018410) has the molecular formula C18H20INO2 and a molecular weight of 409.27 g/mol. Its IUPAC name is N-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide
PubChem CID1018410
Molecular FormulaC18H20INO2
Molecular Weight409.27 g/mol
Exact Mass409.05
IUPAC NameN-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(I)cc1C(C)C
InChIInChI=1S/C18H20INO2/c1-12(2)15-10-14(19)8-9-16(15)20-18(21)11-22-17-7-5-4-6-13(17)3/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyCFKIZFWXNRLEEX-UHFFFAOYSA-N
XLogP4.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 54.74
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-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide
CID 1421738
N-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7900625
N-(2-fluoro-4-iodophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1256100
2-(2-hydroxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 78781647
N-(2-amino-4-methylphenyl)-2-(2-methylphenoxy)acetamide
CID 43376481
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 112778621
3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid
CID 108744198
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113
2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide
CID 1211083
2-(2-chloro-5-methylphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7642804
N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136863946

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide (CID 1018410) is N-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccc(I)cc1C(C)C.
What is the InChIKey of N-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide?
The InChIKey is CFKIZFWXNRLEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO2/c1-12(2)15-10-14(19)8-9-16(15)20-18(21)11-22-17-7-5-4-6-13(17)3/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of N-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide?
N-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide has a molecular weight of 409.27 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 1018410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).