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

C22H20INO2 — CID 43926563

IUPAC2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)COc2ccccc2I)c2ccccc2)cc1
InChIInChI=1S/C22H20INO2/c1-16-11-13-18(14-12-16)22(17-7-3-2-4-8-17)24-21(25)15-26-20-10-6-5-9-19(20)23/h2-14,22H,15H2,1H3,(H,24,25)
InChIKeyZOWIFLASBXFAOQ-UHFFFAOYSA-N
MW457.31 g/mol
LogP4.88
Rot. Bonds6

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

2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide (PubChem CID 43926563) has the molecular formula C22H20INO2 and a molecular weight of 457.31 g/mol. Its IUPAC name is 2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
PubChem CID43926563
Molecular FormulaC22H20INO2
Molecular Weight457.31 g/mol
Exact Mass457.05
IUPAC Name2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)COc2ccccc2I)c2ccccc2)cc1
InChIInChI=1S/C22H20INO2/c1-16-11-13-18(14-12-16)22(17-7-3-2-4-8-17)24-21(25)15-26-20-10-6-5-9-19(20)23/h2-14,22H,15H2,1H3,(H,24,25)
InChIKeyZOWIFLASBXFAOQ-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.31
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

2-(2-ethoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 8798273
2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43917017
2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92679394
2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 99950620
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132762003
2-(2-iodophenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43075465
N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide
CID 19169265
2-(4-acetamidophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 7379493
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide
CID 9012238
N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 66612389
N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 53338538
2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94012505

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide (CID 43926563) is 2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide is Cc1ccc(C(NC(=O)COc2ccccc2I)c2ccccc2)cc1.
What is the InChIKey of 2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is ZOWIFLASBXFAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20INO2/c1-16-11-13-18(14-12-16)22(17-7-3-2-4-8-17)24-21(25)15-26-20-10-6-5-9-19(20)23/h2-14,22H,15H2,1H3,(H,24,25).
What are the key properties of 2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide?
2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 457.31 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 43926563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).