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

C16H16INO2 — CID 2554425

IUPAC2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C16H16INO2/c1-11-7-12(2)9-15(8-11)20-10-16(19)18-14-5-3-13(17)4-6-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyZFNIPPBTRXSTDW-UHFFFAOYSA-N
MW381.21 g/mol
LogP3.93
Rot. Bonds4

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

2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide (PubChem CID 2554425) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
PubChem CID2554425
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC Name2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C16H16INO2/c1-11-7-12(2)9-15(8-11)20-10-16(19)18-14-5-3-13(17)4-6-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyZFNIPPBTRXSTDW-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 53.93
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-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide
CID 18287456
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235341
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19174454
2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
CID 1288987
2-(3-hydroxy-5-methylphenoxy)-N-phenylacetamide
CID 107679862
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 18870428
[2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate
CID 55327028
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 18870478
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
2-(3,5-dimethylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4510841

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide (CID 2554425) is 2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide is Cc1cc(C)cc(OCC(=O)Nc2ccc(I)cc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide?
The InChIKey is ZFNIPPBTRXSTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2/c1-11-7-12(2)9-15(8-11)20-10-16(19)18-14-5-3-13(17)4-6-14/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide?
2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide has a molecular weight of 381.21 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 2554425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).