N-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide

C20H21Cl2F3N2O2 — CID 52690847

IUPACN-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide
SMILESCc1cc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)cc(C)c1OCC(F)(F)F
InChIInChI=1S/C20H21Cl2F3N2O2/c1-12-7-14(8-13(2)19(12)29-11-20(23,24)25)9-27(3)10-17(28)26-18-15(21)5-4-6-16(18)22/h4-8H,9-11H2,1-3H3,(H,26,28)
InChIKeyJJAXXWLHBKFDIM-UHFFFAOYSA-N
MW449.30 g/mol
LogP5.62
Rot. Bonds7

About N-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide

N-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide (PubChem CID 52690847) has the molecular formula C20H21Cl2F3N2O2 and a molecular weight of 449.30 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide
PubChem CID52690847
Molecular FormulaC20H21Cl2F3N2O2
Molecular Weight449.30 g/mol
Exact Mass448.09
IUPAC NameN-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide
SMILESCc1cc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)cc(C)c1OCC(F)(F)F
InChIInChI=1S/C20H21Cl2F3N2O2/c1-12-7-14(8-13(2)19(12)29-11-20(23,24)25)9-27(3)10-17(28)26-18-15(21)5-4-6-16(18)22/h4-8H,9-11H2,1-3H3,(H,26,28)
InChIKeyJJAXXWLHBKFDIM-UHFFFAOYSA-N
XLogP5.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.30
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide
CID 60524139
2-chloro-N'-[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]benzohydrazide
CID 52690938
2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 55861670
2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 52690735
N-(3-cyanothiophen-2-yl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide
CID 55861159
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 2474847
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 18272443
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 55607897
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 27243408
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 55861170

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide (CID 52690847) is N-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide is Cc1cc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)cc(C)c1OCC(F)(F)F.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide?
The InChIKey is JJAXXWLHBKFDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2F3N2O2/c1-12-7-14(8-13(2)19(12)29-11-20(23,24)25)9-27(3)10-17(28)26-18-15(21)5-4-6-16(18)22/h4-8H,9-11H2,1-3H3,(H,26,28).
What are the key properties of N-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide?
N-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide has a molecular weight of 449.30 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide is sourced from PubChem (CID 52690847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).