N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide

C15H9Cl6NO2 — CID 19178170

IUPACN-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H9Cl6NO2/c1-6-2-3-7(16)4-8(6)22-9(23)5-24-15-13(20)11(18)10(17)12(19)14(15)21/h2-4H,5H2,1H3,(H,22,23)
InChIKeyPMNWVPWHNBNRDD-UHFFFAOYSA-N
MW447.96 g/mol
LogP6.93
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide

N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide (PubChem CID 19178170) has the molecular formula C15H9Cl6NO2 and a molecular weight of 447.96 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
PubChem CID19178170
Molecular FormulaC15H9Cl6NO2
Molecular Weight447.96 g/mol
Exact Mass444.88
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H9Cl6NO2/c1-6-2-3-7(16)4-8(6)22-9(23)5-24-15-13(20)11(18)10(17)12(19)14(15)21/h2-4H,5H2,1H3,(H,22,23)
InChIKeyPMNWVPWHNBNRDD-UHFFFAOYSA-N
XLogP6.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.96
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178144
2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 5169100
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78770477
2-(4-acetamidophenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 964612
N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604822
N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 8759054
N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 22777920
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 103606661
N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 838186
N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 55369187
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790672

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide (CID 19178170) is N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide is Cc1ccc(Cl)cc1NC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
The InChIKey is PMNWVPWHNBNRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl6NO2/c1-6-2-3-7(16)4-8(6)22-9(23)5-24-15-13(20)11(18)10(17)12(19)14(15)21/h2-4H,5H2,1H3,(H,22,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide has a molecular weight of 447.96 g/mol, XLogP of 6.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide is sourced from PubChem (CID 19178170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).