N-[3-(2-ethoxyethoxy)phenyl]-2-iodobenzamide

C17H18INO3 — CID 19628694

IUPACN-[3-(2-ethoxyethoxy)phenyl]-2-iodobenzamide
SMILESCCOCCOc1cccc(NC(=O)c2ccccc2I)c1
InChIInChI=1S/C17H18INO3/c1-2-21-10-11-22-14-7-5-6-13(12-14)19-17(20)15-8-3-4-9-16(15)18/h3-9,12H,2,10-11H2,1H3,(H,19,20)
InChIKeyOOGATKGIDVLAQO-UHFFFAOYSA-N
MW411.24 g/mol
LogP3.96
Rot. Bonds7

About N-[3-(2-ethoxyethoxy)phenyl]-2-iodobenzamide

N-[3-(2-ethoxyethoxy)phenyl]-2-iodobenzamide (PubChem CID 19628694) has the molecular formula C17H18INO3 and a molecular weight of 411.24 g/mol. Its IUPAC name is N-[3-(2-ethoxyethoxy)phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethoxy)phenyl]-2-iodobenzamide
PubChem CID19628694
Molecular FormulaC17H18INO3
Molecular Weight411.24 g/mol
Exact Mass411.03
IUPAC NameN-[3-(2-ethoxyethoxy)phenyl]-2-iodobenzamide
SMILESCCOCCOc1cccc(NC(=O)c2ccccc2I)c1
InChIInChI=1S/C17H18INO3/c1-2-21-10-11-22-14-7-5-6-13(12-14)19-17(20)15-8-3-4-9-16(15)18/h3-9,12H,2,10-11H2,1H3,(H,19,20)
InChIKeyOOGATKGIDVLAQO-UHFFFAOYSA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)-N-(3-methoxyphenyl)benzamide
CID 17122713
2-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-phenylbenzamide
CID 17139549
N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide
CID 19628765
2-(2-ethoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188354
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123746
N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide
CID 100526929
N-(3-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 2238701
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
2-iodo-N-(4-propoxyphenyl)benzamide
CID 4942969
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethoxy)phenyl]-2-iodobenzamide?
The IUPAC name of N-[3-(2-ethoxyethoxy)phenyl]-2-iodobenzamide (CID 19628694) is N-[3-(2-ethoxyethoxy)phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[3-(2-ethoxyethoxy)phenyl]-2-iodobenzamide?
The canonical SMILES for N-[3-(2-ethoxyethoxy)phenyl]-2-iodobenzamide is CCOCCOc1cccc(NC(=O)c2ccccc2I)c1.
What is the InChIKey of N-[3-(2-ethoxyethoxy)phenyl]-2-iodobenzamide?
The InChIKey is OOGATKGIDVLAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO3/c1-2-21-10-11-22-14-7-5-6-13(12-14)19-17(20)15-8-3-4-9-16(15)18/h3-9,12H,2,10-11H2,1H3,(H,19,20).
What are the key properties of N-[3-(2-ethoxyethoxy)phenyl]-2-iodobenzamide?
N-[3-(2-ethoxyethoxy)phenyl]-2-iodobenzamide has a molecular weight of 411.24 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethoxy)phenyl]-2-iodobenzamide is sourced from PubChem (CID 19628694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).