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

C18H19ClINO2 — CID 2209028

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
SMILESCc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(C)cc1I
InChIInChI=1S/C18H19ClINO2/c1-10-8-16(11(2)7-15(10)20)21-17(22)9-23-14-5-12(3)18(19)13(4)6-14/h5-8H,9H2,1-4H3,(H,21,22)
InChIKeyOJFAVEXHEPZUCR-UHFFFAOYSA-N
MW443.71 g/mol
LogP5.20
Rot. Bonds4

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

2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide (PubChem CID 2209028) has the molecular formula C18H19ClINO2 and a molecular weight of 443.71 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
PubChem CID2209028
Molecular FormulaC18H19ClINO2
Molecular Weight443.71 g/mol
Exact Mass443.01
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
SMILESCc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(C)cc1I
InChIInChI=1S/C18H19ClINO2/c1-10-8-16(11(2)7-15(10)20)21-17(22)9-23-14-5-12(3)18(19)13(4)6-14/h5-8H,9H2,1-4H3,(H,21,22)
InChIKeyOJFAVEXHEPZUCR-UHFFFAOYSA-N
XLogP5.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.71
LogP ≤ 55.20
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-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide
CID 1329877
N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 3608675
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 22780659
N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 54777100
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 934072
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 776798
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 918188
2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 23095771
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
N-(4-bromo-2,6-dimethylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 2294565
N-(4-iodo-2,5-dimethylphenyl)propanamide
CID 839810

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide (CID 2209028) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide is Cc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(C)cc1I.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide?
The InChIKey is OJFAVEXHEPZUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClINO2/c1-10-8-16(11(2)7-15(10)20)21-17(22)9-23-14-5-12(3)18(19)13(4)6-14/h5-8H,9H2,1-4H3,(H,21,22).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide has a molecular weight of 443.71 g/mol, XLogP of 5.20, 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-(4-iodo-2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 2209028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).