N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide

C11H12Cl3NO3 — CID 60652730

IUPACN-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCN(CCO)C(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO3/c1-15(2-3-16)11(17)6-18-10-5-8(13)7(12)4-9(10)14/h4-5,16H,2-3,6H2,1H3
InChIKeyLKHZEJIKLOAFFD-UHFFFAOYSA-N
MW312.58 g/mol
LogP2.48
Rot. Bonds5

About N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide

N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 60652730) has the molecular formula C11H12Cl3NO3 and a molecular weight of 312.58 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID60652730
Molecular FormulaC11H12Cl3NO3
Molecular Weight312.58 g/mol
Exact Mass310.99
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCN(CCO)C(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO3/c1-15(2-3-16)11(17)6-18-10-5-8(13)7(12)4-9(10)14/h4-5,16H,2-3,6H2,1H3
InChIKeyLKHZEJIKLOAFFD-UHFFFAOYSA-N
XLogP2.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.58
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
CID 43291162
N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide
CID 9343613
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
CID 112779333
2-[propyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetic acid
CID 61013284
methyl 3-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]propanoate
CID 61032213
2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide
CID 54879329
2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202077
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 43213478
ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate
CID 55725983
amino 2-(2,4,5-trichlorophenoxy)acetate
CID 56607198
2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60703186
2-(2,4,5-trichlorophenoxy)ethanol
CID 87745106

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide (CID 60652730) is N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide is CN(CCO)C(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is LKHZEJIKLOAFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO3/c1-15(2-3-16)11(17)6-18-10-5-8(13)7(12)4-9(10)14/h4-5,16H,2-3,6H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide?
N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 312.58 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 60652730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).