2-bromo-N-[(4-chlorophenyl)methyl]-2,2-difluoroacetamide

C9H7BrClF2NO — CID 166175018

IUPAC2-bromo-N-[(4-chlorophenyl)methyl]-2,2-difluoroacetamide
SMILESO=C(NCc1ccc(Cl)cc1)C(F)(F)Br
InChIInChI=1S/C9H7BrClF2NO/c10-9(12,13)8(15)14-5-6-1-3-7(11)4-2-6/h1-4H,5H2,(H,14,15)
InChIKeyUCASSLBYJJPIDL-UHFFFAOYSA-N
MW298.51 g/mol
LogP2.94
Rot. Bonds3

About 2-bromo-N-[(4-chlorophenyl)methyl]-2,2-difluoroacetamide

2-bromo-N-[(4-chlorophenyl)methyl]-2,2-difluoroacetamide (PubChem CID 166175018) has the molecular formula C9H7BrClF2NO and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-bromo-N-[(4-chlorophenyl)methyl]-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-bromo-N-[(4-chlorophenyl)methyl]-2,2-difluoroacetamide
PubChem CID166175018
Molecular FormulaC9H7BrClF2NO
Molecular Weight298.51 g/mol
Exact Mass296.94
IUPAC Name2-bromo-N-[(4-chlorophenyl)methyl]-2,2-difluoroacetamide
SMILESO=C(NCc1ccc(Cl)cc1)C(F)(F)Br
InChIInChI=1S/C9H7BrClF2NO/c10-9(12,13)8(15)14-5-6-1-3-7(11)4-2-6/h1-4H,5H2,(H,14,15)
InChIKeyUCASSLBYJJPIDL-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 52.94
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-bromo-N-[(4-chlorophenyl)methyl]-2,2-difluoroacetamide?
The IUPAC name of 2-bromo-N-[(4-chlorophenyl)methyl]-2,2-difluoroacetamide (CID 166175018) is 2-bromo-N-[(4-chlorophenyl)methyl]-2,2-difluoroacetamide.
What is the SMILES notation for 2-bromo-N-[(4-chlorophenyl)methyl]-2,2-difluoroacetamide?
The canonical SMILES for 2-bromo-N-[(4-chlorophenyl)methyl]-2,2-difluoroacetamide is O=C(NCc1ccc(Cl)cc1)C(F)(F)Br.
What is the InChIKey of 2-bromo-N-[(4-chlorophenyl)methyl]-2,2-difluoroacetamide?
The InChIKey is UCASSLBYJJPIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF2NO/c10-9(12,13)8(15)14-5-6-1-3-7(11)4-2-6/h1-4H,5H2,(H,14,15).
What are the key properties of 2-bromo-N-[(4-chlorophenyl)methyl]-2,2-difluoroacetamide?
2-bromo-N-[(4-chlorophenyl)methyl]-2,2-difluoroacetamide has a molecular weight of 298.51 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-chlorophenyl)methyl]-2,2-difluoroacetamide is sourced from PubChem (CID 166175018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).