2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide

C16H15ClINO2 — CID 1329877

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2I)cc(C)c1Cl
InChIInChI=1S/C16H15ClINO2/c1-10-7-12(8-11(2)16(10)17)21-9-15(20)19-14-6-4-3-5-13(14)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyPDAPLIYOVVFUCY-UHFFFAOYSA-N
MW415.66 g/mol
LogP4.58
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide (PubChem CID 1329877) has the molecular formula C16H15ClINO2 and a molecular weight of 415.66 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide
PubChem CID1329877
Molecular FormulaC16H15ClINO2
Molecular Weight415.66 g/mol
Exact Mass414.98
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2I)cc(C)c1Cl
InChIInChI=1S/C16H15ClINO2/c1-10-7-12(8-11(2)16(10)17)21-9-15(20)19-14-6-4-3-5-13(14)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyPDAPLIYOVVFUCY-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-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 3608675
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 776798
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 2209028
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 934072
N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 21212586
methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate
CID 9349582
2-(4-acetamidophenoxy)-N-(2-iodophenyl)acetamide
CID 7203363
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,6-difluorophenyl)acetamide
CID 112979011
2-(4-acetylphenoxy)-N-(2-iodophenyl)acetamide
CID 2621387
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939290
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide (CID 1329877) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide is Cc1cc(OCC(=O)Nc2ccccc2I)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide?
The InChIKey is PDAPLIYOVVFUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClINO2/c1-10-7-12(8-11(2)16(10)17)21-9-15(20)19-14-6-4-3-5-13(14)18/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)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 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 1329877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).