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

C12H17BrClF2NO — CID 144851024

IUPAC2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide;ethane
SMILESCC.CC.NC(=O)C(F)(F)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H5BrClF2NO.2C2H6/c9-4-1-2-5(6(10)3-4)8(11,12)7(13)14;2*1-2/h1-3H,(H2,13,14);2*1-2H3
InChIKeyJXKTXFGYUOXRPJ-UHFFFAOYSA-N
MW344.63 g/mol
LogP4.73
Rot. Bonds2

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

2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide;ethane (PubChem CID 144851024) has the molecular formula C12H17BrClF2NO and a molecular weight of 344.63 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide;ethane.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide;ethane
PubChem CID144851024
Molecular FormulaC12H17BrClF2NO
Molecular Weight344.63 g/mol
Exact Mass343.02
IUPAC Name2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide;ethane
SMILESCC.CC.NC(=O)C(F)(F)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H5BrClF2NO.2C2H6/c9-4-1-2-5(6(10)3-4)8(11,12)7(13)14;2*1-2/h1-3H,(H2,13,14);2*1-2H3
InChIKeyJXKTXFGYUOXRPJ-UHFFFAOYSA-N
XLogP4.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.63
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide
CID 138393853
3-[4-Bromo-2-chloro-6-(trifluoromethyl)phenyl]-3-cyclopentylpropanamide
CID 69088172
2-(4-Bromo-2-chlorophenyl)-2,2-difluoroacetamide
CID 91927015
2-(4-Bromo-3-chlorophenyl)-2,2-difluoroacetamide
CID 142574287
2-(4-Bromo-3-chloro-2-fluorophenyl)acetamide
CID 176216725
1-(4-Bromo-2-chloro-phenyl)-1,1-difluoro-propan-2-one
CID 91926704
1-(4-Bromo-2-chlorophenyl)-3,3,4,4-tetrafluorobutan-2-one
CID 108053343
1-(4-Bromo-2-chlorophenyl)-3,3,4,4,4-pentafluorobutan-2-one
CID 108096011
3-Amino-1-(4-bromo-2-chlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 113540869
1-(4-Bromo-2-chlorophenyl)-4,4,4-trifluorobutan-2-one
CID 116076268
3-(4-Bromo-2-chlorophenyl)-1,1,1-trifluoropropan-2-one
CID 116076295
1-(4-Bromo-2-chlorophenyl)-5,5,5-trifluoropentan-2-one
CID 116076403

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide;ethane?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide;ethane (CID 144851024) is 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide;ethane.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide;ethane?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide;ethane is CC.CC.NC(=O)C(F)(F)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide;ethane?
The InChIKey is JXKTXFGYUOXRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO.2C2H6/c9-4-1-2-5(6(10)3-4)8(11,12)7(13)14;2*1-2/h1-3H,(H2,13,14);2*1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide;ethane?
2-(4-bromo-2-chlorophenyl)-2,2-difluoroacetamide;ethane has a molecular weight of 344.63 g/mol, XLogP of 4.73, 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;ethane is sourced from PubChem (CID 144851024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).