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

C19H28Cl2N2O2 — CID 45262950

IUPAC2-(4-chlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
SMILESCN(C(=O)COc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1N1CCCC1.Cl
InChIInChI=1S/C19H27ClN2O2.ClH/c1-21(19(23)14-24-16-10-8-15(20)9-11-16)17-6-2-3-7-18(17)22-12-4-5-13-22;/h8-11,17-18H,2-7,12-14H2,1H3;1H/t17-,18-;/m1./s1
InChIKeySLFSQIGHLAJKQP-JAXOOIEVSA-N
MW387.35 g/mol
LogP4.01
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride (PubChem CID 45262950) has the molecular formula C19H28Cl2N2O2 and a molecular weight of 387.35 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
PubChem CID45262950
Molecular FormulaC19H28Cl2N2O2
Molecular Weight387.35 g/mol
Exact Mass386.15
IUPAC Name2-(4-chlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
SMILESCN(C(=O)COc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1N1CCCC1.Cl
InChIInChI=1S/C19H27ClN2O2.ClH/c1-21(19(23)14-24-16-10-8-15(20)9-11-16)17-6-2-3-7-18(17)22-12-4-5-13-22;/h8-11,17-18H,2-7,12-14H2,1H3;1H/t17-,18-;/m1./s1
InChIKeySLFSQIGHLAJKQP-JAXOOIEVSA-N
XLogP4.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride (CID 45262950) is 2-(4-chlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride is CN(C(=O)COc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1N1CCCC1.Cl.
What is the InChIKey of 2-(4-chlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride?
The InChIKey is SLFSQIGHLAJKQP-JAXOOIEVSA-N. The full InChI is InChI=1S/C19H27ClN2O2.ClH/c1-21(19(23)14-24-16-10-8-15(20)9-11-16)17-6-2-3-7-18(17)22-12-4-5-13-22;/h8-11,17-18H,2-7,12-14H2,1H3;1H/t17-,18-;/m1./s1.
What are the key properties of 2-(4-chlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride?
2-(4-chlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride has a molecular weight of 387.35 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride is sourced from PubChem (CID 45262950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).