3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide

C16H15ClINO2 — CID 103221306

IUPAC3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide
SMILESCCOc1cc(C)ccc1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H15ClINO2/c1-3-21-15-8-10(2)4-7-14(15)19-16(20)11-5-6-13(18)12(17)9-11/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyLFZYFQAPWFBNSY-UHFFFAOYSA-N
MW415.66 g/mol
LogP4.90
Rot. Bonds4

About 3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide

3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide (PubChem CID 103221306) has the molecular formula C16H15ClINO2 and a molecular weight of 415.66 g/mol. Its IUPAC name is 3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide
PubChem CID103221306
Molecular FormulaC16H15ClINO2
Molecular Weight415.66 g/mol
Exact Mass414.98
IUPAC Name3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide
SMILESCCOc1cc(C)ccc1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H15ClINO2/c1-3-21-15-8-10(2)4-7-14(15)19-16(20)11-5-6-13(18)12(17)9-11/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyLFZYFQAPWFBNSY-UHFFFAOYSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.66
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287
4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide
CID 55891092
3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 26864885
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791
3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
CID 886779
N-(2-ethoxy-4-methylphenyl)-3-(ethylsulfamoyl)benzamide
CID 87047102
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide
CID 126387173
2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide
CID 61104309
2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
CID 87023490
N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide
CID 46488346
3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide
CID 1256588

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide (CID 103221306) is 3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide is CCOc1cc(C)ccc1NC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide?
The InChIKey is LFZYFQAPWFBNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClINO2/c1-3-21-15-8-10(2)4-7-14(15)19-16(20)11-5-6-13(18)12(17)9-11/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide?
3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide has a molecular weight of 415.66 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide is sourced from PubChem (CID 103221306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).