2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide

C19H26Cl2N2O2 — CID 46878000

IUPAC2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
SMILESCN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C19H26Cl2N2O2/c1-22(17-6-2-3-7-18(17)23-10-4-5-11-23)19(24)13-25-14-8-9-15(20)16(21)12-14/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18+/m1/s1
InChIKeyBUFGEOWFEWGNLG-MSOLQXFVSA-N
MW385.34 g/mol
LogP4.24
Rot. Bonds5

About 2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide

2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide (PubChem CID 46878000) has the molecular formula C19H26Cl2N2O2 and a molecular weight of 385.34 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
PubChem CID46878000
Molecular FormulaC19H26Cl2N2O2
Molecular Weight385.34 g/mol
Exact Mass384.14
IUPAC Name2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
SMILESCN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C19H26Cl2N2O2/c1-22(17-6-2-3-7-18(17)23-10-4-5-11-23)19(24)13-25-14-8-9-15(20)16(21)12-14/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18+/m1/s1
InChIKeyBUFGEOWFEWGNLG-MSOLQXFVSA-N
XLogP4.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide (CID 46878000) is 2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide is CN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The InChIKey is BUFGEOWFEWGNLG-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H26Cl2N2O2/c1-22(17-6-2-3-7-18(17)23-10-4-5-11-23)19(24)13-25-14-8-9-15(20)16(21)12-14/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18+/m1/s1.
What are the key properties of 2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide has a molecular weight of 385.34 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide is sourced from PubChem (CID 46878000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).