2,2,2-trichloro-N-(2-chloroacetyl)acetamide

C4H3Cl4NO2 — CID 154016680

IUPAC2,2,2-trichloro-N-(2-chloroacetyl)acetamide
SMILESO=C(CCl)NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C4H3Cl4NO2/c5-1-2(10)9-3(11)4(6,7)8/h1H2,(H,9,10,11)
InChIKeyVMNNZZHXAOQSPH-UHFFFAOYSA-N
MW238.88 g/mol
LogP1.24
Rot. Bonds1

About 2,2,2-trichloro-N-(2-chloroacetyl)acetamide

2,2,2-trichloro-N-(2-chloroacetyl)acetamide (PubChem CID 154016680) has the molecular formula C4H3Cl4NO2 and a molecular weight of 238.88 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(2-chloroacetyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(2-chloroacetyl)acetamide
PubChem CID154016680
Molecular FormulaC4H3Cl4NO2
Molecular Weight238.88 g/mol
Exact Mass236.89
IUPAC Name2,2,2-trichloro-N-(2-chloroacetyl)acetamide
SMILESO=C(CCl)NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C4H3Cl4NO2/c5-1-2(10)9-3(11)4(6,7)8/h1H2,(H,9,10,11)
InChIKeyVMNNZZHXAOQSPH-UHFFFAOYSA-N
XLogP1.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.88
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-oxo-3-[(2,2,2-trichloroacetyl)amino]propanoate
CID 12575227
N-acetyl-2-chloroacetamide
CID 2366697
2-chloro-N-(3-methylbut-2-en-2-yl)acetamide
CID 20554727
2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide
CID 130723536
4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide
CID 71343257
2,2,2-trichloro-N-[2-[2-[(2,2,2-trichloroacetyl)amino]ethylsulfanyl]ethyl]acetamide
CID 23579838
2-chloro-N-(ethylcarbamoyl)acetamide
CID 2304790
methyl 2-[(2-chloroacetyl)amino]prop-2-enoate
CID 22251401
N-[2-(carbamoylamino)ethylcarbamoyl]-2-chloroacetamide
CID 83114145
2,2,2-trichloro-N-(2-methoxyethyl)acetamide
CID 4248140
2-[(2-chloroacetyl)amino]-2-hydroxyiminoacetamide
CID 174458873
2,2,2-trichloro-N-(5-hydroxypentyl)acetamide
CID 110839292

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(2-chloroacetyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(2-chloroacetyl)acetamide (CID 154016680) is 2,2,2-trichloro-N-(2-chloroacetyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(2-chloroacetyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(2-chloroacetyl)acetamide is O=C(CCl)NC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(2-chloroacetyl)acetamide?
The InChIKey is VMNNZZHXAOQSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl4NO2/c5-1-2(10)9-3(11)4(6,7)8/h1H2,(H,9,10,11).
What are the key properties of 2,2,2-trichloro-N-(2-chloroacetyl)acetamide?
2,2,2-trichloro-N-(2-chloroacetyl)acetamide has a molecular weight of 238.88 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(2-chloroacetyl)acetamide is sourced from PubChem (CID 154016680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).