2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride

C14H20Cl2N2O2 — CID 3052206

IUPAC2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)cc1)NCCN1CCCC1
InChIInChI=1S/C14H19ClN2O2.ClH/c15-12-3-5-13(6-4-12)19-11-14(18)16-7-10-17-8-1-2-9-17;/h3-6H,1-2,7-11H2,(H,16,18);1H
InChIKeyRLUHHXZXJCESQI-UHFFFAOYSA-N
MW319.23 g/mol
LogP2.35
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride

2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride (PubChem CID 3052206) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
PubChem CID3052206
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)cc1)NCCN1CCCC1
InChIInChI=1S/C14H19ClN2O2.ClH/c15-12-3-5-13(6-4-12)19-11-14(18)16-7-10-17-8-1-2-9-17;/h3-6H,1-2,7-11H2,(H,16,18);1H
InChIKeyRLUHHXZXJCESQI-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride (CID 3052206) is 2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride is Cl.O=C(COc1ccc(Cl)cc1)NCCN1CCCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
The InChIKey is RLUHHXZXJCESQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2.ClH/c15-12-3-5-13(6-4-12)19-11-14(18)16-7-10-17-8-1-2-9-17;/h3-6H,1-2,7-11H2,(H,16,18);1H.
What are the key properties of 2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride has a molecular weight of 319.23 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 3052206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).