N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide

C17H18INO2 — CID 37358433

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide
SMILESCCOCc1ccc(CNC(=O)c2ccccc2I)cc1
InChIInChI=1S/C17H18INO2/c1-2-21-12-14-9-7-13(8-10-14)11-19-17(20)15-5-3-4-6-16(15)18/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyQVKVVLNLQKWMKW-UHFFFAOYSA-N
MW395.24 g/mol
LogP3.76
Rot. Bonds6

About N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide

N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide (PubChem CID 37358433) has the molecular formula C17H18INO2 and a molecular weight of 395.24 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide
PubChem CID37358433
Molecular FormulaC17H18INO2
Molecular Weight395.24 g/mol
Exact Mass395.04
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide
SMILESCCOCc1ccc(CNC(=O)c2ccccc2I)cc1
InChIInChI=1S/C17H18INO2/c1-2-21-12-14-9-7-13(8-10-14)11-19-17(20)15-5-3-4-6-16(15)18/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyQVKVVLNLQKWMKW-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide (CID 37358433) is N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide is CCOCc1ccc(CNC(=O)c2ccccc2I)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide?
The InChIKey is QVKVVLNLQKWMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO2/c1-2-21-12-14-9-7-13(8-10-14)11-19-17(20)15-5-3-4-6-16(15)18/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide?
N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide has a molecular weight of 395.24 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide is sourced from PubChem (CID 37358433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).