N-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide

C13H17Cl3N2O — CID 104926715

IUPACN-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide
SMILESCCN(C)C(=O)CNC(C)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H17Cl3N2O/c1-4-18(3)11(19)7-17-8(2)9-5-6-10(14)13(16)12(9)15/h5-6,8,17H,4,7H2,1-3H3
InChIKeyRCZQLAPXNURSEO-UHFFFAOYSA-N
MW323.65 g/mol
LogP3.78
Rot. Bonds5

About N-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide

N-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide (PubChem CID 104926715) has the molecular formula C13H17Cl3N2O and a molecular weight of 323.65 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide
PubChem CID104926715
Molecular FormulaC13H17Cl3N2O
Molecular Weight323.65 g/mol
Exact Mass322.04
IUPAC NameN-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide
SMILESCCN(C)C(=O)CNC(C)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H17Cl3N2O/c1-4-18(3)11(19)7-17-8(2)9-5-6-10(14)13(16)12(9)15/h5-6,8,17H,4,7H2,1-3H3
InChIKeyRCZQLAPXNURSEO-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
CID 81379327
N-ethyl-2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 60759691
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
CID 81360039
N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide
CID 103916425
N-[(4-ethylphenyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 106899409
N-ethyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
CID 81399721
ethyl 2-[1-(2,3,4-trichlorophenyl)ethylamino]propanoate
CID 61498523
N',N'-dimethyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propane-1,3-diamine
CID 43764699
2,2-diethoxy-N-[1-(2,3,4-trichlorophenyl)ethyl]ethanamine
CID 79548559
2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide
CID 113350546
2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide
CID 107094033
1-[1-(2,3,4-trichlorophenyl)ethylamino]pentan-2-ol
CID 115719278

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide (CID 104926715) is N-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide is CCN(C)C(=O)CNC(C)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of N-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide?
The InChIKey is RCZQLAPXNURSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl3N2O/c1-4-18(3)11(19)7-17-8(2)9-5-6-10(14)13(16)12(9)15/h5-6,8,17H,4,7H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide?
N-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide has a molecular weight of 323.65 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide is sourced from PubChem (CID 104926715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).