4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide

C17H18INO2 — CID 60676165

IUPAC4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCN(C)C(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C17H18INO2/c1-13-3-9-16(10-4-13)21-12-11-19(2)17(20)14-5-7-15(18)8-6-14/h3-10H,11-12H2,1-2H3
InChIKeyKOXDGGCCIPECFP-UHFFFAOYSA-N
MW395.24 g/mol
LogP3.75
Rot. Bonds5

About 4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide

4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide (PubChem CID 60676165) has the molecular formula C17H18INO2 and a molecular weight of 395.24 g/mol. Its IUPAC name is 4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
PubChem CID60676165
Molecular FormulaC17H18INO2
Molecular Weight395.24 g/mol
Exact Mass395.04
IUPAC Name4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCN(C)C(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C17H18INO2/c1-13-3-9-16(10-4-13)21-12-11-19(2)17(20)14-5-7-15(18)8-6-14/h3-10H,11-12H2,1-2H3
InChIKeyKOXDGGCCIPECFP-UHFFFAOYSA-N
XLogP3.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24517356
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134031095
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 178089820
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 86916962
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 78794092
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide
CID 78794109
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
4-[3-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-oxopropyl]benzoic acid
CID 119179858

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide?
The IUPAC name of 4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide (CID 60676165) is 4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide is Cc1ccc(OCCN(C)C(=O)c2ccc(I)cc2)cc1.
What is the InChIKey of 4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide?
The InChIKey is KOXDGGCCIPECFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO2/c1-13-3-9-16(10-4-13)21-12-11-19(2)17(20)14-5-7-15(18)8-6-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide?
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide has a molecular weight of 395.24 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 60676165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).