2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide

C12H14F2N2O2 — CID 60680875

IUPAC2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H14F2N2O2/c1-15-12(18)7-16(2)6-11(17)9-5-8(13)3-4-10(9)14/h3-5H,6-7H2,1-2H3,(H,15,18)
InChIKeyQVXYANVFSSSIBW-UHFFFAOYSA-N
MW256.25 g/mol
LogP0.83
Rot. Bonds5

About 2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide

2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide (PubChem CID 60680875) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
PubChem CID60680875
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H14F2N2O2/c1-15-12(18)7-16(2)6-11(17)9-5-8(13)3-4-10(9)14/h3-5H,6-7H2,1-2H3,(H,15,18)
InChIKeyQVXYANVFSSSIBW-UHFFFAOYSA-N
XLogP0.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide
CID 82115206
2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680843
2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone
CID 60650523
N-methyl-2-[methyl-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]amino]acetamide
CID 60680858
2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62051003
1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone
CID 43227426
1-(2,5-difluorophenyl)-3-methylbut-3-en-1-one
CID 79177351
1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one
CID 82112284
2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60681026
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 64769499
2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43216100
2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60680062

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide (CID 60680875) is 2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)CC(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide?
The InChIKey is QVXYANVFSSSIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c1-15-12(18)7-16(2)6-11(17)9-5-8(13)3-4-10(9)14/h3-5H,6-7H2,1-2H3,(H,15,18).
What are the key properties of 2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide?
2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide has a molecular weight of 256.25 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 60680875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).