2,2,2-trichloro-N-ethylacetamide

C4H6Cl3NO — CID 4108671

IUPAC2,2,2-trichloro-N-ethylacetamide
SMILESCCNC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C4H6Cl3NO/c1-2-8-3(9)4(5,6)7/h2H2,1H3,(H,8,9)
InChIKeyYJBLDPZJJKNQHP-UHFFFAOYSA-N
MW190.46 g/mol
LogP1.49
Rot. Bonds1

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

2,2,2-trichloro-N-ethylacetamide (PubChem CID 4108671) has the molecular formula C4H6Cl3NO and a molecular weight of 190.46 g/mol. Its IUPAC name is 2,2,2-trichloro-N-ethylacetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-ethylacetamide
PubChem CID4108671
Molecular FormulaC4H6Cl3NO
Molecular Weight190.46 g/mol
Exact Mass188.95
IUPAC Name2,2,2-trichloro-N-ethylacetamide
SMILESCCNC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C4H6Cl3NO/c1-2-8-3(9)4(5,6)7/h2H2,1H3,(H,8,9)
InChIKeyYJBLDPZJJKNQHP-UHFFFAOYSA-N
XLogP1.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.46
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-ethylacetamide?
The IUPAC name of 2,2,2-trichloro-N-ethylacetamide (CID 4108671) is 2,2,2-trichloro-N-ethylacetamide.
What is the SMILES notation for 2,2,2-trichloro-N-ethylacetamide?
The canonical SMILES for 2,2,2-trichloro-N-ethylacetamide is CCNC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-ethylacetamide?
The InChIKey is YJBLDPZJJKNQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl3NO/c1-2-8-3(9)4(5,6)7/h2H2,1H3,(H,8,9).
What are the key properties of 2,2,2-trichloro-N-ethylacetamide?
2,2,2-trichloro-N-ethylacetamide has a molecular weight of 190.46 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-ethylacetamide is sourced from PubChem (CID 4108671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).