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

C19H27Cl3N2O2 — CID 18603269

IUPAC2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
SMILESCN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1.Cl
InChIInChI=1S/C19H26Cl2N2O2.ClH/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;1H/t17-,18-;/m1./s1
InChIKeySLYFITKBNVBOIW-JAXOOIEVSA-N
MW421.80 g/mol
LogP4.66
Rot. Bonds5

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

2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride (PubChem CID 18603269) has the molecular formula C19H27Cl3N2O2 and a molecular weight of 421.80 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
PubChem CID18603269
Molecular FormulaC19H27Cl3N2O2
Molecular Weight421.80 g/mol
Exact Mass420.11
IUPAC Name2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
SMILESCN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1.Cl
InChIInChI=1S/C19H26Cl2N2O2.ClH/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;1H/t17-,18-;/m1./s1
InChIKeySLYFITKBNVBOIW-JAXOOIEVSA-N
XLogP4.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.80
LogP ≤ 54.66
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,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride (CID 18603269) is 2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride is CN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1.Cl.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride?
The InChIKey is SLYFITKBNVBOIW-JAXOOIEVSA-N. The full InChI is InChI=1S/C19H26Cl2N2O2.ClH/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;1H/t17-,18-;/m1./s1.
What are the key properties of 2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride?
2-(3,4-dichlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride has a molecular weight of 421.80 g/mol, XLogP of 4.66, 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,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride is sourced from PubChem (CID 18603269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).