2,2,2-trichloro-N-(4-chlorophenyl)acetamide

C8H5Cl4NO — CID 520391

IUPAC2,2,2-trichloro-N-(4-chlorophenyl)acetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H5Cl4NO/c9-5-1-3-6(4-2-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)
InChIKeyCWUXLDOMGYBJFB-UHFFFAOYSA-N
MW272.95 g/mol
LogP3.65
Rot. Bonds1

About 2,2,2-trichloro-N-(4-chlorophenyl)acetamide

2,2,2-trichloro-N-(4-chlorophenyl)acetamide (PubChem CID 520391) has the molecular formula C8H5Cl4NO and a molecular weight of 272.95 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(4-chlorophenyl)acetamide
PubChem CID520391
Molecular FormulaC8H5Cl4NO
Molecular Weight272.95 g/mol
Exact Mass270.91
IUPAC Name2,2,2-trichloro-N-(4-chlorophenyl)acetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H5Cl4NO/c9-5-1-3-6(4-2-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)
InChIKeyCWUXLDOMGYBJFB-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.95
LogP ≤ 53.65
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-(4-chlorophenyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(4-chlorophenyl)acetamide (CID 520391) is 2,2,2-trichloro-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(4-chlorophenyl)acetamide is O=C(Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(4-chlorophenyl)acetamide?
The InChIKey is CWUXLDOMGYBJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl4NO/c9-5-1-3-6(4-2-5)13-7(14)8(10,11)12/h1-4H,(H,13,14).
What are the key properties of 2,2,2-trichloro-N-(4-chlorophenyl)acetamide?
2,2,2-trichloro-N-(4-chlorophenyl)acetamide has a molecular weight of 272.95 g/mol, XLogP of 3.65, 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-(4-chlorophenyl)acetamide is sourced from PubChem (CID 520391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).