N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide

C16H16INO3 — CID 100523566

IUPACN-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)cc2I)cc1OC
InChIInChI=1S/C16H16INO3/c1-10-4-6-12(13(17)8-10)16(19)18-11-5-7-14(20-2)15(9-11)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyIVAZPIOXICLVGF-UHFFFAOYSA-N
MW397.21 g/mol
LogP3.87
Rot. Bonds4

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

N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide (PubChem CID 100523566) has the molecular formula C16H16INO3 and a molecular weight of 397.21 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide
PubChem CID100523566
Molecular FormulaC16H16INO3
Molecular Weight397.21 g/mol
Exact Mass397.02
IUPAC NameN-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)cc2I)cc1OC
InChIInChI=1S/C16H16INO3/c1-10-4-6-12(13(17)8-10)16(19)18-11-5-7-14(20-2)15(9-11)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyIVAZPIOXICLVGF-UHFFFAOYSA-N
XLogP3.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.21
LogP ≤ 53.87
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

2-iodo-N-(4-iodophenyl)-4-methylbenzamide
CID 100523539
dimethyl 5-[(2-iodo-4-methylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 100525954
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599
2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide
CID 3939031
2-hydroxy-N-(4-methoxy-3-methylphenyl)-4-methylbenzamide
CID 47317808
N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide
CID 103606001
N-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide
CID 39709925
N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide
CID 9100356
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
4-amino-N-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81239196
methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate
CID 9043924

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide (CID 100523566) is N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide is COc1ccc(NC(=O)c2ccc(C)cc2I)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide?
The InChIKey is IVAZPIOXICLVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO3/c1-10-4-6-12(13(17)8-10)16(19)18-11-5-7-14(20-2)15(9-11)21-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide?
N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide has a molecular weight of 397.21 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide is sourced from PubChem (CID 100523566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).