2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide

C7H8Cl5NO — CID 20554032

IUPAC2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide
SMILESCCN(CC(Cl)=C(Cl)Cl)C(=O)C(Cl)Cl
InChIInChI=1S/C7H8Cl5NO/c1-2-13(7(14)6(11)12)3-4(8)5(9)10/h6H,2-3H2,1H3
InChIKeyOGYFRRMLHDSVDP-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.52
Rot. Bonds4

About 2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide

2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide (PubChem CID 20554032) has the molecular formula C7H8Cl5NO and a molecular weight of 299.41 g/mol. Its IUPAC name is 2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide
PubChem CID20554032
Molecular FormulaC7H8Cl5NO
Molecular Weight299.41 g/mol
Exact Mass296.90
IUPAC Name2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide
SMILESCCN(CC(Cl)=C(Cl)Cl)C(=O)C(Cl)Cl
InChIInChI=1S/C7H8Cl5NO/c1-2-13(7(14)6(11)12)3-4(8)5(9)10/h6H,2-3H2,1H3
InChIKeyOGYFRRMLHDSVDP-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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
N,2,2-trichloro-N-ethylacetamide
CID 88809029
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 24703589
2,2-dichloro-N,N-dihexylacetamide
CID 533320
2-chloro-N,N-diethylpentanamide
CID 62224091
N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 60660134
2,2-dichloro-N-prop-2-enyl-N-propylacetamide
CID 21403948
2,2-dichloro-N-propyl-N-prop-2-ynylacetamide
CID 13324355
2-[(2,2-dichloroacetyl)-methylamino]acetic acid
CID 21402665
N,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride
CID 88722025

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide?
The IUPAC name of 2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide (CID 20554032) is 2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide is CCN(CC(Cl)=C(Cl)Cl)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide?
The InChIKey is OGYFRRMLHDSVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl5NO/c1-2-13(7(14)6(11)12)3-4(8)5(9)10/h6H,2-3H2,1H3.
What are the key properties of 2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide?
2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide has a molecular weight of 299.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide is sourced from PubChem (CID 20554032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).