3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide

C22H20INO4 — CID 3340832

IUPAC3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
SMILESCOc1cccc(NC(=O)c2cc(I)c(OC)c(OCc3ccccc3)c2)c1
InChIInChI=1S/C22H20INO4/c1-26-18-10-6-9-17(13-18)24-22(25)16-11-19(23)21(27-2)20(12-16)28-14-15-7-4-3-5-8-15/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyWAEBUOCVZYWMJB-UHFFFAOYSA-N
MW489.31 g/mol
LogP5.14
Rot. Bonds7

About 3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide

3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide (PubChem CID 3340832) has the molecular formula C22H20INO4 and a molecular weight of 489.31 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
PubChem CID3340832
Molecular FormulaC22H20INO4
Molecular Weight489.31 g/mol
Exact Mass489.04
IUPAC Name3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
SMILESCOc1cccc(NC(=O)c2cc(I)c(OC)c(OCc3ccccc3)c2)c1
InChIInChI=1S/C22H20INO4/c1-26-18-10-6-9-17(13-18)24-22(25)16-11-19(23)21(27-2)20(12-16)28-14-15-7-4-3-5-8-15/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyWAEBUOCVZYWMJB-UHFFFAOYSA-N
XLogP5.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.31
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
CID 3558686
N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
CID 126370837
3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3889618
3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3901187
3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide
CID 5017519
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide
CID 122498346
2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 54790493
N-(3-methoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827854
N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010
3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide
CID 1008068

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide?
The IUPAC name of 3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide (CID 3340832) is 3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide?
The canonical SMILES for 3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide is COc1cccc(NC(=O)c2cc(I)c(OC)c(OCc3ccccc3)c2)c1.
What is the InChIKey of 3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide?
The InChIKey is WAEBUOCVZYWMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20INO4/c1-26-18-10-6-9-17(13-18)24-22(25)16-11-19(23)21(27-2)20(12-16)28-14-15-7-4-3-5-8-15/h3-13H,14H2,1-2H3,(H,24,25).
What are the key properties of 3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide?
3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide has a molecular weight of 489.31 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide is sourced from PubChem (CID 3340832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).