2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide

C9H7F2NO2 — CID 82112280

IUPAC2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C9H7F2NO2/c1-12-9(14)8(13)6-4-5(10)2-3-7(6)11/h2-4H,1H3,(H,12,14)
InChIKeyDTWPWXPUYDLKSB-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.89
Rot. Bonds2

About 2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide

2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide (PubChem CID 82112280) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide
PubChem CID82112280
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC Name2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C9H7F2NO2/c1-12-9(14)8(13)6-4-5(10)2-3-7(6)11/h2-4H,1H3,(H,12,14)
InChIKeyDTWPWXPUYDLKSB-UHFFFAOYSA-N
XLogP0.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide
CID 82115206
1-(2,5-difluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456132
1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one
CID 82112284
2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 78802909
2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide
CID 82112119
2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680875
2,3,5-trifluoro-N-methylbenzamide
CID 58656809
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
1-(2,5-difluorophenyl)-3-methylbut-3-en-1-one
CID 79177351
2-(2,5-difluorophenyl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 94285001
(E)-1-(2,5-difluorophenyl)-2-methyl-3-phenylprop-2-en-1-one
CID 59347721
2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone
CID 130136879

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide (CID 82112280) is 2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide is CNC(=O)C(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide?
The InChIKey is DTWPWXPUYDLKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO2/c1-12-9(14)8(13)6-4-5(10)2-3-7(6)11/h2-4H,1H3,(H,12,14).
What are the key properties of 2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide?
2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide has a molecular weight of 199.16 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 82112280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).