N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)-2-(2,4,6-trichlorophenoxy)acetamide

C19H25Cl3N2O2 — CID 14040464

IUPACN-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)-2-(2,4,6-trichlorophenoxy)acetamide
SMILESCN(C(=O)COc1c(Cl)cc(Cl)cc1Cl)C1CCCCC1N1CCCC1
InChIInChI=1S/C19H25Cl3N2O2/c1-23(16-6-2-3-7-17(16)24-8-4-5-9-24)18(25)12-26-19-14(21)10-13(20)11-15(19)22/h10-11,16-17H,2-9,12H2,1H3
InChIKeyUPDDIRTYOSMTEI-UHFFFAOYSA-N
MW419.78 g/mol
LogP4.89
Rot. Bonds5

About N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)-2-(2,4,6-trichlorophenoxy)acetamide

N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)-2-(2,4,6-trichlorophenoxy)acetamide (PubChem CID 14040464) has the molecular formula C19H25Cl3N2O2 and a molecular weight of 419.78 g/mol. Its IUPAC name is N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)-2-(2,4,6-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)-2-(2,4,6-trichlorophenoxy)acetamide
PubChem CID14040464
Molecular FormulaC19H25Cl3N2O2
Molecular Weight419.78 g/mol
Exact Mass418.10
IUPAC NameN-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)-2-(2,4,6-trichlorophenoxy)acetamide
SMILESCN(C(=O)COc1c(Cl)cc(Cl)cc1Cl)C1CCCCC1N1CCCC1
InChIInChI=1S/C19H25Cl3N2O2/c1-23(16-6-2-3-7-17(16)24-8-4-5-9-24)18(25)12-26-19-14(21)10-13(20)11-15(19)22/h10-11,16-17H,2-9,12H2,1H3
InChIKeyUPDDIRTYOSMTEI-UHFFFAOYSA-N
XLogP4.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.78
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)-2-(2,4,6-trichlorophenoxy)acetamide?
The IUPAC name of N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)-2-(2,4,6-trichlorophenoxy)acetamide (CID 14040464) is N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)-2-(2,4,6-trichlorophenoxy)acetamide.
What is the SMILES notation for N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)-2-(2,4,6-trichlorophenoxy)acetamide?
The canonical SMILES for N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)-2-(2,4,6-trichlorophenoxy)acetamide is CN(C(=O)COc1c(Cl)cc(Cl)cc1Cl)C1CCCCC1N1CCCC1.
What is the InChIKey of N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)-2-(2,4,6-trichlorophenoxy)acetamide?
The InChIKey is UPDDIRTYOSMTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl3N2O2/c1-23(16-6-2-3-7-17(16)24-8-4-5-9-24)18(25)12-26-19-14(21)10-13(20)11-15(19)22/h10-11,16-17H,2-9,12H2,1H3.
What are the key properties of N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)-2-(2,4,6-trichlorophenoxy)acetamide?
N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)-2-(2,4,6-trichlorophenoxy)acetamide has a molecular weight of 419.78 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)-2-(2,4,6-trichlorophenoxy)acetamide is sourced from PubChem (CID 14040464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).