2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide

C8H5BrClF2NO — CID 91927015

IUPAC2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide
SMILESNC(=O)C(F)(F)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H5BrClF2NO/c9-4-1-2-5(6(10)3-4)8(11,12)7(13)14/h1-3H,(H2,13,14)
InChIKeyPUYGHORLVGIXGV-UHFFFAOYSA-N
MW284.49 g/mol
LogP2.68
Rot. Bonds2

About 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide

2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide (PubChem CID 91927015) has the molecular formula C8H5BrClF2NO and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide
PubChem CID91927015
Molecular FormulaC8H5BrClF2NO
Molecular Weight284.49 g/mol
Exact Mass282.92
IUPAC Name2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide
SMILESNC(=O)C(F)(F)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H5BrClF2NO/c9-4-1-2-5(6(10)3-4)8(11,12)7(13)14/h1-3H,(H2,13,14)
InChIKeyPUYGHORLVGIXGV-UHFFFAOYSA-N
XLogP2.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide (CID 91927015) is 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide is NC(=O)C(F)(F)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide?
The InChIKey is PUYGHORLVGIXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO/c9-4-1-2-5(6(10)3-4)8(11,12)7(13)14/h1-3H,(H2,13,14).
What are the key properties of 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide?
2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide has a molecular weight of 284.49 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide is sourced from PubChem (CID 91927015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).