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

C14H6Cl7NO2 — CID 19178144

IUPACN-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
SMILESO=C(COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H6Cl7NO2/c15-5-1-2-7(6(16)3-5)22-8(23)4-24-14-12(20)10(18)9(17)11(19)13(14)21/h1-3H,4H2,(H,22,23)
InChIKeyOCBNPQWFJLJSJL-UHFFFAOYSA-N
MW468.38 g/mol
LogP7.28
Rot. Bonds4

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

N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide (PubChem CID 19178144) has the molecular formula C14H6Cl7NO2 and a molecular weight of 468.38 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
PubChem CID19178144
Molecular FormulaC14H6Cl7NO2
Molecular Weight468.38 g/mol
Exact Mass464.82
IUPAC NameN-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
SMILESO=C(COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H6Cl7NO2/c15-5-1-2-7(6(16)3-5)22-8(23)4-24-14-12(20)10(18)9(17)11(19)13(14)21/h1-3H,4H2,(H,22,23)
InChIKeyOCBNPQWFJLJSJL-UHFFFAOYSA-N
XLogP7.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 57.28
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-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178170
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
N-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 923080
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 23909609
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
N-(2,4-dichlorophenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678359
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782622
N-(4-amino-2-chlorophenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 28542842
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749
[2-(2,4-dichloroanilino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 5107504

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide (CID 19178144) is N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide is O=C(COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
The InChIKey is OCBNPQWFJLJSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl7NO2/c15-5-1-2-7(6(16)3-5)22-8(23)4-24-14-12(20)10(18)9(17)11(19)13(14)21/h1-3H,4H2,(H,22,23).
What are the key properties of N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide has a molecular weight of 468.38 g/mol, XLogP of 7.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide is sourced from PubChem (CID 19178144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).