N-(4-bromo-2-fluorophenyl)-2-oxoacetamide

C8H5BrFNO2 — CID 146561302

IUPACN-(4-bromo-2-fluorophenyl)-2-oxoacetamide
SMILESO=CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C8H5BrFNO2/c9-5-1-2-7(6(10)3-5)11-8(13)4-12/h1-4H,(H,11,13)
InChIKeyXJQVESQEHNXAQA-UHFFFAOYSA-N
MW246.04 g/mol
LogP1.73
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-2-oxoacetamide

N-(4-bromo-2-fluorophenyl)-2-oxoacetamide (PubChem CID 146561302) has the molecular formula C8H5BrFNO2 and a molecular weight of 246.04 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-oxoacetamide
PubChem CID146561302
Molecular FormulaC8H5BrFNO2
Molecular Weight246.04 g/mol
Exact Mass244.95
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-oxoacetamide
SMILESO=CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C8H5BrFNO2/c9-5-1-2-7(6(10)3-5)11-8(13)4-12/h1-4H,(H,11,13)
InChIKeyXJQVESQEHNXAQA-UHFFFAOYSA-N
XLogP1.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.04
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-2-oxoacetamide
CID 115165918
N-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropanamide
CID 130165280
N-(4-bromo-2-fluorophenyl)-2-oxopropanamide
CID 144805374
3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea
CID 110460006
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide
CID 60648489
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 55121126
N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide
CID 62832838
N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 4156225
N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide
CID 1279612
2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
CID 62856454

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-oxoacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-oxoacetamide (CID 146561302) is N-(4-bromo-2-fluorophenyl)-2-oxoacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-oxoacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-oxoacetamide is O=CC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-oxoacetamide?
The InChIKey is XJQVESQEHNXAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNO2/c9-5-1-2-7(6(10)3-5)11-8(13)4-12/h1-4H,(H,11,13).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-oxoacetamide?
N-(4-bromo-2-fluorophenyl)-2-oxoacetamide has a molecular weight of 246.04 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-oxoacetamide is sourced from PubChem (CID 146561302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).