2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide

C10H9BrFNO2 — CID 175978103

IUPAC2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1cccc(Br)c1F
InChIInChI=1S/C10H9BrFNO2/c1-13(2)10(15)9(14)6-4-3-5-7(11)8(6)12/h3-5H,1-2H3
InChIKeyBJLLVYCIKFYVBA-UHFFFAOYSA-N
MW274.09 g/mol
LogP1.86
Rot. Bonds2

About 2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide

2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide (PubChem CID 175978103) has the molecular formula C10H9BrFNO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide
PubChem CID175978103
Molecular FormulaC10H9BrFNO2
Molecular Weight274.09 g/mol
Exact Mass272.98
IUPAC Name2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1cccc(Br)c1F
InChIInChI=1S/C10H9BrFNO2/c1-13(2)10(15)9(14)6-4-3-5-7(11)8(6)12/h3-5H,1-2H3
InChIKeyBJLLVYCIKFYVBA-UHFFFAOYSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 106544486
3-amino-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-one
CID 106647287
1-(3-bromo-2-fluorophenyl)-2-(dimethylamino)-2-ethylbutan-1-one
CID 106644862
3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide
CID 106547679
(3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone
CID 106647340
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide
CID 106543999
3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 107951815
3-bromo-2-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 106547783
3-bromo-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300840
3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide
CID 106544738

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide (CID 175978103) is 2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide is CN(C)C(=O)C(=O)c1cccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide?
The InChIKey is BJLLVYCIKFYVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO2/c1-13(2)10(15)9(14)6-4-3-5-7(11)8(6)12/h3-5H,1-2H3.
What are the key properties of 2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide?
2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide has a molecular weight of 274.09 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 175978103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).