2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C13H14Cl2F3N3O2 — CID 2474847

IUPAC2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2F3N3O2/c1-21(5-10(22)19-7-13(16,17)18)6-11(23)20-12-8(14)3-2-4-9(12)15/h2-4H,5-7H2,1H3,(H,19,22)(H,20,23)
InChIKeyIOIMCEFUVRKXAD-UHFFFAOYSA-N
MW372.17 g/mol
LogP2.54
Rot. Bonds6

About 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2474847) has the molecular formula C13H14Cl2F3N3O2 and a molecular weight of 372.17 g/mol. Its IUPAC name is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2474847
Molecular FormulaC13H14Cl2F3N3O2
Molecular Weight372.17 g/mol
Exact Mass371.04
IUPAC Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2F3N3O2/c1-21(5-10(22)19-7-13(16,17)18)6-11(23)20-12-8(14)3-2-4-9(12)15/h2-4H,5-7H2,1H3,(H,19,22)(H,20,23)
InChIKeyIOIMCEFUVRKXAD-UHFFFAOYSA-N
XLogP2.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.17
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287193
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 18272443
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]amino]acetamide
CID 26600333
N-(cyclohexylmethyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287227
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559536
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559545
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40605983
N-(2,6-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 51225789
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
2-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 55411232
N-tert-butyl-2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 8767892

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 2474847) is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IOIMCEFUVRKXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2F3N3O2/c1-21(5-10(22)19-7-13(16,17)18)6-11(23)20-12-8(14)3-2-4-9(12)15/h2-4H,5-7H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 372.17 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2474847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).