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

C17H18INO2 — CID 18287456

IUPAC2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(C)c(I)c2)c1
InChIInChI=1S/C17H18INO2/c1-11-6-12(2)8-15(7-11)21-10-17(20)19-14-5-4-13(3)16(18)9-14/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyDRJVITQPZBTQRM-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.23
Rot. Bonds4

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

2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide (PubChem CID 18287456) has the molecular formula C17H18INO2 and a molecular weight of 395.24 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide
PubChem CID18287456
Molecular FormulaC17H18INO2
Molecular Weight395.24 g/mol
Exact Mass395.04
IUPAC Name2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(C)c(I)c2)c1
InChIInChI=1S/C17H18INO2/c1-11-6-12(2)8-15(7-11)21-10-17(20)19-14-5-4-13(3)16(18)9-14/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyDRJVITQPZBTQRM-UHFFFAOYSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.23
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-(4-iodophenyl)acetamide
CID 2554425
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19174454
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
2-(3,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 679981
2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide
CID 19630585
N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235341
2-(3,5-dimethylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4510841
2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide
CID 8874271
2-(3,5-dimethylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 7478526
5-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 17359281
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 7784194
N-(3-amino-4-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 28867302

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide (CID 18287456) is 2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide is Cc1cc(C)cc(OCC(=O)Nc2ccc(C)c(I)c2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide?
The InChIKey is DRJVITQPZBTQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO2/c1-11-6-12(2)8-15(7-11)21-10-17(20)19-14-5-4-13(3)16(18)9-14/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide?
2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide has a molecular weight of 395.24 g/mol, XLogP of 4.23, 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-(3-iodo-4-methylphenyl)acetamide is sourced from PubChem (CID 18287456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).