N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide;ethane;N-ethyl-N-methylethanamine;methylcyclobutane

C28H41Cl2F3N2O2 — CID 143426368

IUPACN-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide;ethane;N-ethyl-N-methylethanamine;methylcyclobutane
SMILESCC.CC1CCC1.CCN(C)CC.Cc1cc(NC(=O)CO)c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H12Cl2F3NO2.C5H13N.C5H10.C2H6/c1-8-4-11(16(19,20)21)15(13(5-8)22-14(24)7-23)10-3-2-9(17)6-12(10)18;1-4-6(3)5-2;1-5-3-2-4-5;1-2/h2-6,23H,7H2,1H3,(H,22,24);4-5H2,1-3H3;5H,2-4H2,1H3;1-2H3
InChIKeyHKCYHMSWZMASSY-UHFFFAOYSA-N
MW565.55 g/mol
LogP8.71
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide;ethane;N-ethyl-N-methylethanamine;methylcyclobutane

N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide;ethane;N-ethyl-N-methylethanamine;methylcyclobutane (PubChem CID 143426368) has the molecular formula C28H41Cl2F3N2O2 and a molecular weight of 565.55 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide;ethane;N-ethyl-N-methylethanamine;methylcyclobutane.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide;ethane;N-ethyl-N-methylethanamine;methylcyclobutane
PubChem CID143426368
Molecular FormulaC28H41Cl2F3N2O2
Molecular Weight565.55 g/mol
Exact Mass564.25
IUPAC NameN-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide;ethane;N-ethyl-N-methylethanamine;methylcyclobutane
SMILESCC.CC1CCC1.CCN(C)CC.Cc1cc(NC(=O)CO)c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H12Cl2F3NO2.C5H13N.C5H10.C2H6/c1-8-4-11(16(19,20)21)15(13(5-8)22-14(24)7-23)10-3-2-9(17)6-12(10)18;1-4-6(3)5-2;1-5-3-2-4-5;1-2/h2-6,23H,7H2,1H3,(H,22,24);4-5H2,1-3H3;5H,2-4H2,1H3;1-2H3
InChIKeyHKCYHMSWZMASSY-UHFFFAOYSA-N
XLogP8.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.55
LogP ≤ 58.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide
CID 143426369
N-[2-((R)-6,8-Dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenyl]-2-hydroxyacetamide
CID 59682845
N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2-hydroxyacetamide
CID 66865203

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide;ethane;N-ethyl-N-methylethanamine;methylcyclobutane?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide;ethane;N-ethyl-N-methylethanamine;methylcyclobutane (CID 143426368) is N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide;ethane;N-ethyl-N-methylethanamine;methylcyclobutane.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide;ethane;N-ethyl-N-methylethanamine;methylcyclobutane?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide;ethane;N-ethyl-N-methylethanamine;methylcyclobutane is CC.CC1CCC1.CCN(C)CC.Cc1cc(NC(=O)CO)c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide;ethane;N-ethyl-N-methylethanamine;methylcyclobutane?
The InChIKey is HKCYHMSWZMASSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3NO2.C5H13N.C5H10.C2H6/c1-8-4-11(16(19,20)21)15(13(5-8)22-14(24)7-23)10-3-2-9(17)6-12(10)18;1-4-6(3)5-2;1-5-3-2-4-5;1-2/h2-6,23H,7H2,1H3,(H,22,24);4-5H2,1-3H3;5H,2-4H2,1H3;1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide;ethane;N-ethyl-N-methylethanamine;methylcyclobutane?
N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide;ethane;N-ethyl-N-methylethanamine;methylcyclobutane has a molecular weight of 565.55 g/mol, XLogP of 8.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide;ethane;N-ethyl-N-methylethanamine;methylcyclobutane is sourced from PubChem (CID 143426368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).