N-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide

C17H18INO3 — CID 102034384

IUPACN-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide
SMILESCOc1ccc(I)cc1CNC(=O)c1ccc(C)cc1OC
InChIInChI=1S/C17H18INO3/c1-11-4-6-14(16(8-11)22-3)17(20)19-10-12-9-13(18)5-7-15(12)21-2/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyIHHUSBNVEXUYCN-UHFFFAOYSA-N
MW411.24 g/mol
LogP3.55
Rot. Bonds5

About N-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide

N-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide (PubChem CID 102034384) has the molecular formula C17H18INO3 and a molecular weight of 411.24 g/mol. Its IUPAC name is N-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide
PubChem CID102034384
Molecular FormulaC17H18INO3
Molecular Weight411.24 g/mol
Exact Mass411.03
IUPAC NameN-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide
SMILESCOc1ccc(I)cc1CNC(=O)c1ccc(C)cc1OC
InChIInChI=1S/C17H18INO3/c1-11-4-6-14(16(8-11)22-3)17(20)19-10-12-9-13(18)5-7-15(12)21-2/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyIHHUSBNVEXUYCN-UHFFFAOYSA-N
XLogP3.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.24
LogP ≤ 53.55
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-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide
CID 122567122
2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide
CID 136533990
3-[(2-methoxy-5-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163375
2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 82128305
N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine
CID 82552100
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide
CID 115138980
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide
CID 32858696
N-butyl-5-iodo-2-methoxybenzamide
CID 132553879

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide?
The IUPAC name of N-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide (CID 102034384) is N-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide?
The canonical SMILES for N-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide is COc1ccc(I)cc1CNC(=O)c1ccc(C)cc1OC.
What is the InChIKey of N-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide?
The InChIKey is IHHUSBNVEXUYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO3/c1-11-4-6-14(16(8-11)22-3)17(20)19-10-12-9-13(18)5-7-15(12)21-2/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide?
N-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide has a molecular weight of 411.24 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide is sourced from PubChem (CID 102034384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).