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

C19H26Cl2N2O2 — CID 46877995

IUPAC2-(2,3-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
SMILESCN(C(=O)COc1cccc(Cl)c1Cl)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C19H26Cl2N2O2/c1-22(15-8-2-3-9-16(15)23-11-4-5-12-23)18(24)13-25-17-10-6-7-14(20)19(17)21/h6-7,10,15-16H,2-5,8-9,11-13H2,1H3/t15-,16+/m1/s1
InChIKeySTNKEHPJTIYUAI-CVEARBPZSA-N
MW385.34 g/mol
LogP4.24
Rot. Bonds5

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

2-(2,3-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide (PubChem CID 46877995) has the molecular formula C19H26Cl2N2O2 and a molecular weight of 385.34 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
PubChem CID46877995
Molecular FormulaC19H26Cl2N2O2
Molecular Weight385.34 g/mol
Exact Mass384.14
IUPAC Name2-(2,3-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
SMILESCN(C(=O)COc1cccc(Cl)c1Cl)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C19H26Cl2N2O2/c1-22(15-8-2-3-9-16(15)23-11-4-5-12-23)18(24)13-25-17-10-6-7-14(20)19(17)21/h6-7,10,15-16H,2-5,8-9,11-13H2,1H3/t15-,16+/m1/s1
InChIKeySTNKEHPJTIYUAI-CVEARBPZSA-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-(2,3-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide (CID 46877995) is 2-(2,3-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide is CN(C(=O)COc1cccc(Cl)c1Cl)[C@@H]1CCCC[C@@H]1N1CCCC1.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The InChIKey is STNKEHPJTIYUAI-CVEARBPZSA-N. The full InChI is InChI=1S/C19H26Cl2N2O2/c1-22(15-8-2-3-9-16(15)23-11-4-5-12-23)18(24)13-25-17-10-6-7-14(20)19(17)21/h6-7,10,15-16H,2-5,8-9,11-13H2,1H3/t15-,16+/m1/s1.
What are the key properties of 2-(2,3-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
2-(2,3-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-(2,3-dichlorophenoxy)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide is sourced from PubChem (CID 46877995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).