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

C12H14Cl2N2O2 — CID 60680843

IUPAC2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/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)
InChIKeyFXGNVDAMCOLXTC-UHFFFAOYSA-N
MW289.16 g/mol
LogP1.85
Rot. Bonds5

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

2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide (PubChem CID 60680843) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
PubChem CID60680843
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/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)
InChIKeyFXGNVDAMCOLXTC-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62051003
2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62050806
2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680875
1-(2,5-dichlorophenyl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61427107
1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661947
N-cyclopropyl-2-[[2-(2,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 60681736
1-(2,5-dichlorophenyl)butane-1,3-dione
CID 43089597
N-methyl-2-[methyl-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]amino]acetamide
CID 60680858
1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 62037111
2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60681026
2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone
CID 43797615
1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950486

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide (CID 60680843) is 2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)CC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide?
The InChIKey is FXGNVDAMCOLXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/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-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide?
2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide has a molecular weight of 289.16 g/mol, XLogP of 1.85, 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-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 60680843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).