N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide

C17H18INO3 — CID 46453624

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2cccc(C)c2I)c(OC)c1
InChIInChI=1S/C17H18INO3/c1-11-5-4-6-14(16(11)18)17(20)19-10-12-7-8-13(21-2)9-15(12)22-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyWTMLEAINXRRTEZ-UHFFFAOYSA-N
MW411.24 g/mol
LogP3.55
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide

N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide (PubChem CID 46453624) has the molecular formula C17H18INO3 and a molecular weight of 411.24 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide
PubChem CID46453624
Molecular FormulaC17H18INO3
Molecular Weight411.24 g/mol
Exact Mass411.03
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2cccc(C)c2I)c(OC)c1
InChIInChI=1S/C17H18INO3/c1-11-5-4-6-14(16(11)18)17(20)19-10-12-7-8-13(21-2)9-15(12)22-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyWTMLEAINXRRTEZ-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-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-iodo-3-methylbenzamide
CID 55691012
N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide
CID 103747463
N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047159
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide
CID 141373361
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide (CID 46453624) is N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide is COc1ccc(CNC(=O)c2cccc(C)c2I)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide?
The InChIKey is WTMLEAINXRRTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO3/c1-11-5-4-6-14(16(11)18)17(20)19-10-12-7-8-13(21-2)9-15(12)22-3/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-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-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide is sourced from PubChem (CID 46453624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).