N-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide

C16H13Cl4NO3 — CID 45050935

IUPACN-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide
SMILESCCOc1ccc(NC(=O)COc2c(Cl)cc(Cl)c(Cl)c2Cl)cc1
InChIInChI=1S/C16H13Cl4NO3/c1-2-23-10-5-3-9(4-6-10)21-13(22)8-24-16-12(18)7-11(17)14(19)15(16)20/h3-7H,2,8H2,1H3,(H,21,22)
InChIKeyUXQRLTPKCMBCRY-UHFFFAOYSA-N
MW409.10 g/mol
LogP5.72
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide

N-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide (PubChem CID 45050935) has the molecular formula C16H13Cl4NO3 and a molecular weight of 409.10 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide
PubChem CID45050935
Molecular FormulaC16H13Cl4NO3
Molecular Weight409.10 g/mol
Exact Mass406.96
IUPAC NameN-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide
SMILESCCOc1ccc(NC(=O)COc2c(Cl)cc(Cl)c(Cl)c2Cl)cc1
InChIInChI=1S/C16H13Cl4NO3/c1-2-23-10-5-3-9(4-6-10)21-13(22)8-24-16-12(18)7-11(17)14(19)15(16)20/h3-7H,2,8H2,1H3,(H,21,22)
InChIKeyUXQRLTPKCMBCRY-UHFFFAOYSA-N
XLogP5.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.10
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-butoxyphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178102
N-(4-ethoxyphenyl)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064535
N-(4-methoxyphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275209
2-[2-[2-(4-ethoxyanilino)-2-oxoethoxy]ethoxy]-N-(4-ethoxyphenyl)acetamide
CID 101189832
[2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654549
2-(6,8-dichloroquinazolin-4-yl)oxy-N-(4-ethoxyphenyl)acetamide
CID 4310600
N-(4-chlorophenyl)-2-(3-ethoxyphenoxy)acetamide
CID 112977797
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
2-(4-ethoxyphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 19177758
2-(2-bromophenoxy)-N-(4-ethoxyphenyl)acetamide
CID 1183062
N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 17202569

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide (CID 45050935) is N-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide is CCOc1ccc(NC(=O)COc2c(Cl)cc(Cl)c(Cl)c2Cl)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide?
The InChIKey is UXQRLTPKCMBCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl4NO3/c1-2-23-10-5-3-9(4-6-10)21-13(22)8-24-16-12(18)7-11(17)14(19)15(16)20/h3-7H,2,8H2,1H3,(H,21,22).
What are the key properties of N-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide?
N-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide has a molecular weight of 409.10 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide is sourced from PubChem (CID 45050935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).