N-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide

C16H14Cl3IN2O2 — CID 17117025

IUPACN-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
SMILESCc1nc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)ccc1I
InChIInChI=1S/C16H14Cl3IN2O2/c1-7-13(17)8(2)15(19)16(14(7)18)24-6-12(23)22-11-5-4-10(20)9(3)21-11/h4-5H,6H2,1-3H3,(H,21,22,23)
InChIKeyOMIPFSQBKQCUCO-UHFFFAOYSA-N
MW499.56 g/mol
LogP5.59
Rot. Bonds4

About N-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide

N-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide (PubChem CID 17117025) has the molecular formula C16H14Cl3IN2O2 and a molecular weight of 499.56 g/mol. Its IUPAC name is N-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
PubChem CID17117025
Molecular FormulaC16H14Cl3IN2O2
Molecular Weight499.56 g/mol
Exact Mass497.92
IUPAC NameN-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
SMILESCc1nc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)ccc1I
InChIInChI=1S/C16H14Cl3IN2O2/c1-7-13(17)8(2)15(19)16(14(7)18)24-6-12(23)22-11-5-4-10(20)9(3)21-11/h4-5H,6H2,1-3H3,(H,21,22,23)
InChIKeyOMIPFSQBKQCUCO-UHFFFAOYSA-N
XLogP5.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.56
LogP ≤ 55.59
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-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide
CID 19630585
N-(5-iodo-6-methyl-2-pyridinyl)-2-naphthalen-1-yloxyacetamide
CID 22776946
N-(5-bromo-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 4305524
N-(5-iodo-6-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 75448255
N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 4899815
N-(5-iodo-6-methyl-2-pyridinyl)-2-phenylacetamide
CID 1017624
N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17117574
2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-N-(2-hydroxyphenyl)acetamide
CID 134064912
N-(4-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide
CID 134064638
dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 17117499
N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 22777920
2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22778548

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide (CID 17117025) is N-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide is Cc1nc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)ccc1I.
What is the InChIKey of N-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The InChIKey is OMIPFSQBKQCUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3IN2O2/c1-7-13(17)8(2)15(19)16(14(7)18)24-6-12(23)22-11-5-4-10(20)9(3)21-11/h4-5H,6H2,1-3H3,(H,21,22,23).
What are the key properties of N-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
N-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide has a molecular weight of 499.56 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 17117025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).