3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide

C23H22INO3 — CID 3328427

IUPAC3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(I)c2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C23H22INO3/c1-3-27-22-13-18(23(26)25-20-6-4-5-19(24)14-20)11-12-21(22)28-15-17-9-7-16(2)8-10-17/h4-14H,3,15H2,1-2H3,(H,25,26)
InChIKeyNKBOMANDNPQNPG-UHFFFAOYSA-N
MW487.34 g/mol
LogP5.83
Rot. Bonds7

About 3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide

3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide (PubChem CID 3328427) has the molecular formula C23H22INO3 and a molecular weight of 487.34 g/mol. Its IUPAC name is 3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide
PubChem CID3328427
Molecular FormulaC23H22INO3
Molecular Weight487.34 g/mol
Exact Mass487.06
IUPAC Name3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(I)c2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C23H22INO3/c1-3-27-22-13-18(23(26)25-20-6-4-5-19(24)14-20)11-12-21(22)28-15-17-9-7-16(2)8-10-17/h4-14H,3,15H2,1-2H3,(H,25,26)
InChIKeyNKBOMANDNPQNPG-UHFFFAOYSA-N
XLogP5.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.34
LogP ≤ 55.83
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

3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
3-ethoxy-N-(3-hydroxyphenyl)-4-phenylmethoxybenzamide
CID 126089788
N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide
CID 2192184
3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3450576
4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5002030
N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide
CID 16778324
N-(2,4-dimethylphenyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 25337421
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
3-ethoxy-N-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39111619
3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55346054
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide?
The IUPAC name of 3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide (CID 3328427) is 3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide.
What is the SMILES notation for 3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide?
The canonical SMILES for 3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide is CCOc1cc(C(=O)Nc2cccc(I)c2)ccc1OCc1ccc(C)cc1.
What is the InChIKey of 3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide?
The InChIKey is NKBOMANDNPQNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22INO3/c1-3-27-22-13-18(23(26)25-20-6-4-5-19(24)14-20)11-12-21(22)28-15-17-9-7-16(2)8-10-17/h4-14H,3,15H2,1-2H3,(H,25,26).
What are the key properties of 3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide?
3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide has a molecular weight of 487.34 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 3328427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).