N-(4-bromo-2,6-difluorophenyl)-2,2-dichloroacetamide

C8H4BrCl2F2NO — CID 2804173

IUPACN-(4-bromo-2,6-difluorophenyl)-2,2-dichloroacetamide
SMILESO=C(Nc1c(F)cc(Br)cc1F)C(Cl)Cl
InChIInChI=1S/C8H4BrCl2F2NO/c9-3-1-4(12)6(5(13)2-3)14-8(15)7(10)11/h1-2,7H,(H,14,15)
InChIKeyYWOLTIBHODLLFC-UHFFFAOYSA-N
MW318.93 g/mol
LogP3.47
Rot. Bonds2

About N-(4-bromo-2,6-difluorophenyl)-2,2-dichloroacetamide

N-(4-bromo-2,6-difluorophenyl)-2,2-dichloroacetamide (PubChem CID 2804173) has the molecular formula C8H4BrCl2F2NO and a molecular weight of 318.93 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-2,2-dichloroacetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-2,2-dichloroacetamide
PubChem CID2804173
Molecular FormulaC8H4BrCl2F2NO
Molecular Weight318.93 g/mol
Exact Mass316.88
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-2,2-dichloroacetamide
SMILESO=C(Nc1c(F)cc(Br)cc1F)C(Cl)Cl
InChIInChI=1S/C8H4BrCl2F2NO/c9-3-1-4(12)6(5(13)2-3)14-8(15)7(10)11/h1-2,7H,(H,14,15)
InChIKeyYWOLTIBHODLLFC-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.93
LogP ≤ 53.47
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-2,6-difluorophenyl)-2,2-dichloroacetamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2,2-dichloroacetamide (CID 2804173) is N-(4-bromo-2,6-difluorophenyl)-2,2-dichloroacetamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-2,2-dichloroacetamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-2,2-dichloroacetamide is O=C(Nc1c(F)cc(Br)cc1F)C(Cl)Cl.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-2,2-dichloroacetamide?
The InChIKey is YWOLTIBHODLLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrCl2F2NO/c9-3-1-4(12)6(5(13)2-3)14-8(15)7(10)11/h1-2,7H,(H,14,15).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-2,2-dichloroacetamide?
N-(4-bromo-2,6-difluorophenyl)-2,2-dichloroacetamide has a molecular weight of 318.93 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-2,2-dichloroacetamide is sourced from PubChem (CID 2804173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).