N-(4-bromo-2-chlorophenyl)-2,2,2-trichloroacetamide

C8H4BrCl4NO — CID 2725563

IUPACN-(4-bromo-2-chlorophenyl)-2,2,2-trichloroacetamide
SMILESO=C(Nc1ccc(Br)cc1Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C8H4BrCl4NO/c9-4-1-2-6(5(10)3-4)14-7(15)8(11,12)13/h1-3H,(H,14,15)
InChIKeyVVXMPXQGTZFFQU-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.41
Rot. Bonds1

About N-(4-bromo-2-chlorophenyl)-2,2,2-trichloroacetamide

N-(4-bromo-2-chlorophenyl)-2,2,2-trichloroacetamide (PubChem CID 2725563) has the molecular formula C8H4BrCl4NO and a molecular weight of 351.84 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2,2,2-trichloroacetamide
PubChem CID2725563
Molecular FormulaC8H4BrCl4NO
Molecular Weight351.84 g/mol
Exact Mass348.82
IUPAC NameN-(4-bromo-2-chlorophenyl)-2,2,2-trichloroacetamide
SMILESO=C(Nc1ccc(Br)cc1Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C8H4BrCl4NO/c9-4-1-2-6(5(10)3-4)14-7(15)8(11,12)13/h1-3H,(H,14,15)
InChIKeyVVXMPXQGTZFFQU-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.41
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 N-(4-bromo-2-chlorophenyl)-2,2,2-trichloroacetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2,2,2-trichloroacetamide (CID 2725563) is N-(4-bromo-2-chlorophenyl)-2,2,2-trichloroacetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2,2,2-trichloroacetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2,2,2-trichloroacetamide is O=C(Nc1ccc(Br)cc1Cl)C(Cl)(Cl)Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2,2,2-trichloroacetamide?
The InChIKey is VVXMPXQGTZFFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrCl4NO/c9-4-1-2-6(5(10)3-4)14-7(15)8(11,12)13/h1-3H,(H,14,15).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2,2,2-trichloroacetamide?
N-(4-bromo-2-chlorophenyl)-2,2,2-trichloroacetamide has a molecular weight of 351.84 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2,2,2-trichloroacetamide is sourced from PubChem (CID 2725563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).