2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide

C16H16INO2 — CID 7473183

IUPAC2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2ccc(I)cc2)cc1
InChIInChI=1S/C16H16INO2/c1-12-2-4-13(5-3-12)10-18-16(19)11-20-15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyDRWXGBMNRHUCNG-UHFFFAOYSA-N
MW381.21 g/mol
LogP3.29
Rot. Bonds5

About 2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide

2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 7473183) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID7473183
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC Name2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2ccc(I)cc2)cc1
InChIInChI=1S/C16H16INO2/c1-12-2-4-13(5-3-12)10-18-16(19)11-20-15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyDRWXGBMNRHUCNG-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 53.29
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

2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 46761744
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 9428045
2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 38743222
N-[(4-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100539829
N-[(4-methylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 1319379
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 3943831
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55846808
2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24633590

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide (CID 7473183) is 2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)COc2ccc(I)cc2)cc1.
What is the InChIKey of 2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is DRWXGBMNRHUCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2/c1-12-2-4-13(5-3-12)10-18-16(19)11-20-15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide?
2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 381.21 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 7473183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).