3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide

C18H20INO4 — CID 4541836

IUPAC3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide
SMILESCCCOc1c(I)cc(C(=O)Nc2ccccc2OC)cc1OC
InChIInChI=1S/C18H20INO4/c1-4-9-24-17-13(19)10-12(11-16(17)23-3)18(21)20-14-7-5-6-8-15(14)22-2/h5-8,10-11H,4,9H2,1-3H3,(H,20,21)
InChIKeyLJWGDZWARIZSJS-UHFFFAOYSA-N
MW441.27 g/mol
LogP4.35
Rot. Bonds7

About 3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide

3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide (PubChem CID 4541836) has the molecular formula C18H20INO4 and a molecular weight of 441.27 g/mol. Its IUPAC name is 3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide
PubChem CID4541836
Molecular FormulaC18H20INO4
Molecular Weight441.27 g/mol
Exact Mass441.04
IUPAC Name3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide
SMILESCCCOc1c(I)cc(C(=O)Nc2ccccc2OC)cc1OC
InChIInChI=1S/C18H20INO4/c1-4-9-24-17-13(19)10-12(11-16(17)23-3)18(21)20-14-7-5-6-8-15(14)22-2/h5-8,10-11H,4,9H2,1-3H3,(H,20,21)
InChIKeyLJWGDZWARIZSJS-UHFFFAOYSA-N
XLogP4.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.27
LogP ≤ 54.35
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-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide
CID 4033767
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide
CID 4552214
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
2-[(5Z)-5-[(3-iodo-5-methoxy-4-propoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-methoxyphenyl)acetamide
CID 126279402
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide?
The IUPAC name of 3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide (CID 4541836) is 3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide.
What is the SMILES notation for 3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide?
The canonical SMILES for 3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide is CCCOc1c(I)cc(C(=O)Nc2ccccc2OC)cc1OC.
What is the InChIKey of 3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide?
The InChIKey is LJWGDZWARIZSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO4/c1-4-9-24-17-13(19)10-12(11-16(17)23-3)18(21)20-14-7-5-6-8-15(14)22-2/h5-8,10-11H,4,9H2,1-3H3,(H,20,21).
What are the key properties of 3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide?
3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide has a molecular weight of 441.27 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide is sourced from PubChem (CID 4541836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).