N-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide

C10H8BrF2NO2 — CID 138485782

IUPACN-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide
SMILESCC(=O)Nc1c(F)ccc(C(=O)CBr)c1F
InChIInChI=1S/C10H8BrF2NO2/c1-5(15)14-10-7(12)3-2-6(9(10)13)8(16)4-11/h2-3H,4H2,1H3,(H,14,15)
InChIKeyMUPZASAFROXNOT-UHFFFAOYSA-N
MW292.08 g/mol
LogP2.50
Rot. Bonds3

About N-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide

N-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide (PubChem CID 138485782) has the molecular formula C10H8BrF2NO2 and a molecular weight of 292.08 g/mol. Its IUPAC name is N-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide
PubChem CID138485782
Molecular FormulaC10H8BrF2NO2
Molecular Weight292.08 g/mol
Exact Mass290.97
IUPAC NameN-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide
SMILESCC(=O)Nc1c(F)ccc(C(=O)CBr)c1F
InChIInChI=1S/C10H8BrF2NO2/c1-5(15)14-10-7(12)3-2-6(9(10)13)8(16)4-11/h2-3H,4H2,1H3,(H,14,15)
InChIKeyMUPZASAFROXNOT-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide
CID 138485796
3-acetamido-2,4-difluorobenzamide
CID 154632543
2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone
CID 122237020
1-(2-amino-3-bromo-4-fluorophenyl)-2-bromoethanone
CID 171016538
2-bromo-1-(4-chloro-2-fluorophenyl)ethanone
CID 22121443
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
2-bromo-1-(2,3-difluoro-5-methylphenyl)ethanone
CID 118838056
2-bromo-1-(3-chloro-4-fluoro-2-methylphenyl)ethanone
CID 130839411
2-bromo-1-(2-bromo-3-fluoro-4-methylphenyl)ethanone
CID 171007588
N-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide
CID 138485861
N-(2,6-difluoro-3-formamidophenyl)acetamide
CID 168651959
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide?
The IUPAC name of N-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide (CID 138485782) is N-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide.
What is the SMILES notation for N-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide?
The canonical SMILES for N-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide is CC(=O)Nc1c(F)ccc(C(=O)CBr)c1F.
What is the InChIKey of N-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide?
The InChIKey is MUPZASAFROXNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2NO2/c1-5(15)14-10-7(12)3-2-6(9(10)13)8(16)4-11/h2-3H,4H2,1H3,(H,14,15).
What are the key properties of N-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide?
N-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide has a molecular weight of 292.08 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide is sourced from PubChem (CID 138485782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).