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

C17H14Cl5NO2 — CID 19178089

IUPACN-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
SMILESCCc1cccc(C)c1NC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C17H14Cl5NO2/c1-3-9-6-4-5-8(2)16(9)23-10(24)7-25-17-14(21)12(19)11(18)13(20)15(17)22/h4-6H,3,7H2,1-2H3,(H,23,24)
InChIKeyVQLNUCRDVNOYGT-UHFFFAOYSA-N
MW441.57 g/mol
LogP6.84
Rot. Bonds5

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

N-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide (PubChem CID 19178089) has the molecular formula C17H14Cl5NO2 and a molecular weight of 441.57 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
PubChem CID19178089
Molecular FormulaC17H14Cl5NO2
Molecular Weight441.57 g/mol
Exact Mass438.95
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
SMILESCCc1cccc(C)c1NC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C17H14Cl5NO2/c1-3-9-6-4-5-8(2)16(9)23-10(24)7-25-17-14(21)12(19)11(18)13(20)15(17)22/h4-6H,3,7H2,1-2H3,(H,23,24)
InChIKeyVQLNUCRDVNOYGT-UHFFFAOYSA-N
XLogP6.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.57
LogP ≤ 56.84
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

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenoxy)acetate
CID 2467910
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 717648
2-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 769435
N-(2-ethyl-6-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19172373
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
N-(2,6-dimethylphenyl)-2-(2-ethylphenoxy)acetamide
CID 19175719
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 7170402
methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate
CID 55320823
N-(2-ethyl-6-methylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678275
2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7979886
N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 675140
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7994602

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide (CID 19178089) is N-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide is CCc1cccc(C)c1NC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
The InChIKey is VQLNUCRDVNOYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl5NO2/c1-3-9-6-4-5-8(2)16(9)23-10(24)7-25-17-14(21)12(19)11(18)13(20)15(17)22/h4-6H,3,7H2,1-2H3,(H,23,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
N-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide has a molecular weight of 441.57 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide is sourced from PubChem (CID 19178089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).