N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide

C16H15ClINO2 — CID 24607292

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(I)cc2)c(Cl)c1
InChIInChI=1S/C16H15ClINO2/c1-10-7-11(2)16(14(17)8-10)19-15(20)9-21-13-5-3-12(18)4-6-13/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyGNAIHMJPEKMHSO-UHFFFAOYSA-N
MW415.66 g/mol
LogP4.58
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide (PubChem CID 24607292) has the molecular formula C16H15ClINO2 and a molecular weight of 415.66 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide
PubChem CID24607292
Molecular FormulaC16H15ClINO2
Molecular Weight415.66 g/mol
Exact Mass414.98
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(I)cc2)c(Cl)c1
InChIInChI=1S/C16H15ClINO2/c1-10-7-11(2)16(14(17)8-10)19-15(20)9-21-13-5-3-12(18)4-6-13/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyGNAIHMJPEKMHSO-UHFFFAOYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.66
LogP ≤ 54.58
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-chloro-4,6-dimethylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 2534815
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
CID 19174206
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
CID 110884676
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 7744080
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112998277
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844747
N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178203
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139489
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide
CID 55733108
2-[[2-(4-iodophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 112761998
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide (CID 24607292) is N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide is Cc1cc(C)c(NC(=O)COc2ccc(I)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide?
The InChIKey is GNAIHMJPEKMHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClINO2/c1-10-7-11(2)16(14(17)8-10)19-15(20)9-21-13-5-3-12(18)4-6-13/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide has a molecular weight of 415.66 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide is sourced from PubChem (CID 24607292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).