N,2,2-trichloro-N-ethylacetamide

C4H6Cl3NO — CID 88809029

IUPACN,2,2-trichloro-N-ethylacetamide
SMILESCCN(Cl)C(=O)C(Cl)Cl
InChIInChI=1S/C4H6Cl3NO/c1-2-8(7)4(9)3(5)6/h3H,2H2,1H3
InChIKeyLIVCGYWYDKQVLI-UHFFFAOYSA-N
MW190.46 g/mol
LogP1.79
Rot. Bonds2

About N,2,2-trichloro-N-ethylacetamide

N,2,2-trichloro-N-ethylacetamide (PubChem CID 88809029) has the molecular formula C4H6Cl3NO and a molecular weight of 190.46 g/mol. Its IUPAC name is N,2,2-trichloro-N-ethylacetamide.

Molecular Properties

Compound NameN,2,2-trichloro-N-ethylacetamide
PubChem CID88809029
Molecular FormulaC4H6Cl3NO
Molecular Weight190.46 g/mol
Exact Mass188.95
IUPAC NameN,2,2-trichloro-N-ethylacetamide
SMILESCCN(Cl)C(=O)C(Cl)Cl
InChIInChI=1S/C4H6Cl3NO/c1-2-8(7)4(9)3(5)6/h3H,2H2,1H3
InChIKeyLIVCGYWYDKQVLI-UHFFFAOYSA-N
XLogP1.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.46
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-N,N-diethylacetamide
CID 141409453
2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide
CID 174887176
2,2-dichloro-N-ethyl-N-prop-2-enylacetamide
CID 21403921
2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide
CID 20554032
methyl N-chloro-N-ethylcarbamate
CID 21281537
2,2-dichloro-N,N-dihexylacetamide
CID 533320
2,2-dichloro-N',N'-diethylacetohydrazide
CID 174663209
2-[(2,2-dichloroacetyl)-methylamino]acetic acid
CID 21402665
2-chloro-N-(cyanomethyl)-N-ethylpropanamide
CID 131223053
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 24703589
2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide
CID 103187986
2-chloro-N,N-diethylpentanamide
CID 62224091

Frequently Asked Questions

What is the IUPAC name of N,2,2-trichloro-N-ethylacetamide?
The IUPAC name of N,2,2-trichloro-N-ethylacetamide (CID 88809029) is N,2,2-trichloro-N-ethylacetamide.
What is the SMILES notation for N,2,2-trichloro-N-ethylacetamide?
The canonical SMILES for N,2,2-trichloro-N-ethylacetamide is CCN(Cl)C(=O)C(Cl)Cl.
What is the InChIKey of N,2,2-trichloro-N-ethylacetamide?
The InChIKey is LIVCGYWYDKQVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl3NO/c1-2-8(7)4(9)3(5)6/h3H,2H2,1H3.
What are the key properties of N,2,2-trichloro-N-ethylacetamide?
N,2,2-trichloro-N-ethylacetamide has a molecular weight of 190.46 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trichloro-N-ethylacetamide is sourced from PubChem (CID 88809029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).