N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide

C16H14Cl3NO2 — CID 5102467

IUPACN-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCCc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H14Cl3NO2/c1-2-10-5-3-4-6-14(10)20-16(21)9-22-15-8-12(18)11(17)7-13(15)19/h3-8H,2,9H2,1H3,(H,20,21)
InChIKeyATKKQXPQZANVGA-UHFFFAOYSA-N
MW358.65 g/mol
LogP5.23
Rot. Bonds5

About N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide

N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 5102467) has the molecular formula C16H14Cl3NO2 and a molecular weight of 358.65 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID5102467
Molecular FormulaC16H14Cl3NO2
Molecular Weight358.65 g/mol
Exact Mass357.01
IUPAC NameN-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCCc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H14Cl3NO2/c1-2-10-5-3-4-6-14(10)20-16(21)9-22-15-8-12(18)11(17)7-13(15)19/h3-8H,2,9H2,1H3,(H,20,21)
InChIKeyATKKQXPQZANVGA-UHFFFAOYSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 21212586
N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 7929959
2-(2-acetamidophenoxy)-N-(2-ethylphenyl)acetamide
CID 7867330
N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4511857
N-(2-ethylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 7750885
2-(2,4-dichlorophenoxy)-N-[2-(ethoxymethyl)phenyl]acetamide
CID 86821663
2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid
CID 166178801
2-(2-tert-butyl-5-methylphenoxy)-N-(2-ethylphenyl)acetamide
CID 19168145
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(2-ethylphenyl)acetamide
CID 126279616
2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide (CID 5102467) is N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide is CCc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is ATKKQXPQZANVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO2/c1-2-10-5-3-4-6-14(10)20-16(21)9-22-15-8-12(18)11(17)7-13(15)19/h3-8H,2,9H2,1H3,(H,20,21).
What are the key properties of N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 358.65 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 5102467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).