N-(1,2,2,2-tetrachloroethyl)acetamide

C4H5Cl4NO — CID 3773923

IUPACN-(1,2,2,2-tetrachloroethyl)acetamide
SMILESCC(=O)NC(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C4H5Cl4NO/c1-2(10)9-3(5)4(6,7)8/h3H,1H3,(H,9,10)
InChIKeyIMEQPJDEOWUNNN-UHFFFAOYSA-N
MW224.90 g/mol
LogP2.06
Rot. Bonds1

About N-(1,2,2,2-tetrachloroethyl)acetamide

N-(1,2,2,2-tetrachloroethyl)acetamide (PubChem CID 3773923) has the molecular formula C4H5Cl4NO and a molecular weight of 224.90 g/mol. Its IUPAC name is N-(1,2,2,2-tetrachloroethyl)acetamide.

Molecular Properties

Compound NameN-(1,2,2,2-tetrachloroethyl)acetamide
PubChem CID3773923
Molecular FormulaC4H5Cl4NO
Molecular Weight224.90 g/mol
Exact Mass222.91
IUPAC NameN-(1,2,2,2-tetrachloroethyl)acetamide
SMILESCC(=O)NC(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C4H5Cl4NO/c1-2(10)9-3(5)4(6,7)8/h3H,1H3,(H,9,10)
InChIKeyIMEQPJDEOWUNNN-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.90
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,2,2-tetrachloroethyl)acetamide?
The IUPAC name of N-(1,2,2,2-tetrachloroethyl)acetamide (CID 3773923) is N-(1,2,2,2-tetrachloroethyl)acetamide.
What is the SMILES notation for N-(1,2,2,2-tetrachloroethyl)acetamide?
The canonical SMILES for N-(1,2,2,2-tetrachloroethyl)acetamide is CC(=O)NC(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of N-(1,2,2,2-tetrachloroethyl)acetamide?
The InChIKey is IMEQPJDEOWUNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Cl4NO/c1-2(10)9-3(5)4(6,7)8/h3H,1H3,(H,9,10).
What are the key properties of N-(1,2,2,2-tetrachloroethyl)acetamide?
N-(1,2,2,2-tetrachloroethyl)acetamide has a molecular weight of 224.90 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2,2-tetrachloroethyl)acetamide is sourced from PubChem (CID 3773923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).