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

C14H20ClFN2O2 — CID 2947598

IUPAC2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(F)cc1)NCCN1CCCC1
InChIInChI=1S/C14H19FN2O2.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
InChIKeyOQVBJJWZYDDUJR-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.84
Rot. Bonds6

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

2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride (PubChem CID 2947598) has the molecular formula C14H20ClFN2O2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
PubChem CID2947598
Molecular FormulaC14H20ClFN2O2
Molecular Weight302.78 g/mol
Exact Mass302.12
IUPAC Name2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(F)cc1)NCCN1CCCC1
InChIInChI=1S/C14H19FN2O2.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
InChIKeyOQVBJJWZYDDUJR-UHFFFAOYSA-N
XLogP1.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride (CID 2947598) is 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride is Cl.O=C(COc1ccc(F)cc1)NCCN1CCCC1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
The InChIKey is OQVBJJWZYDDUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2.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-fluorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride has a molecular weight of 302.78 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 2947598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).