N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide

C21H18INO3 — CID 26243693

IUPACN-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C21H18INO3/c1-2-25-15-11-13-16(14-12-15)26-20-10-6-5-9-19(20)23-21(24)17-7-3-4-8-18(17)22/h3-14H,2H2,1H3,(H,23,24)
InChIKeyHNQPRLCKEZYJOG-UHFFFAOYSA-N
MW459.28 g/mol
LogP5.73
Rot. Bonds6

About N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide

N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide (PubChem CID 26243693) has the molecular formula C21H18INO3 and a molecular weight of 459.28 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide
PubChem CID26243693
Molecular FormulaC21H18INO3
Molecular Weight459.28 g/mol
Exact Mass459.03
IUPAC NameN-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C21H18INO3/c1-2-25-15-11-13-16(14-12-15)26-20-10-6-5-9-19(20)23-21(24)17-7-3-4-8-18(17)22/h3-14H,2H2,1H3,(H,23,24)
InChIKeyHNQPRLCKEZYJOG-UHFFFAOYSA-N
XLogP5.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.28
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-2-iodobenzamide
CID 996130
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
4-acetamido-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 26243690
2-iodo-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130833
2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
CID 17340647
N-[2-(4-ethoxyphenoxy)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037548
6-chloro-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26243696
2-chloro-N-[2-(4-ethoxyphenoxy)phenyl]-4-nitrobenzamide
CID 8873797
N-[2-(4-ethoxyphenoxy)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 39971961
N-[2-(4-ethoxyphenoxy)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78838328
2-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 60567369
N-[2-(4-ethoxyphenoxy)phenyl]-4-(ethylsulfamoyl)benzamide
CID 39971958

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide (CID 26243693) is N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide is CCOc1ccc(Oc2ccccc2NC(=O)c2ccccc2I)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide?
The InChIKey is HNQPRLCKEZYJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18INO3/c1-2-25-15-11-13-16(14-12-15)26-20-10-6-5-9-19(20)23-21(24)17-7-3-4-8-18(17)22/h3-14H,2H2,1H3,(H,23,24).
What are the key properties of N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide?
N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide has a molecular weight of 459.28 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide is sourced from PubChem (CID 26243693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).