N-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C16H24ClFN2O2 — CID 119813356

IUPACN-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCCC(CNC(=O)CC1CCCN1)Oc1ccccc1F.Cl
InChIInChI=1S/C16H23FN2O2.ClH/c1-2-13(21-15-8-4-3-7-14(15)17)11-19-16(20)10-12-6-5-9-18-12;/h3-4,7-8,12-13,18H,2,5-6,9-11H2,1H3,(H,19,20);1H
InChIKeyVYGBITHRIDQZFE-UHFFFAOYSA-N
MW330.83 g/mol
LogP2.66
Rot. Bonds7

About N-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119813356) has the molecular formula C16H24ClFN2O2 and a molecular weight of 330.83 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119813356
Molecular FormulaC16H24ClFN2O2
Molecular Weight330.83 g/mol
Exact Mass330.15
IUPAC NameN-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCCC(CNC(=O)CC1CCCN1)Oc1ccccc1F.Cl
InChIInChI=1S/C16H23FN2O2.ClH/c1-2-13(21-15-8-4-3-7-14(15)17)11-19-16(20)10-12-6-5-9-18-12;/h3-4,7-8,12-13,18H,2,5-6,9-11H2,1H3,(H,19,20);1H
InChIKeyVYGBITHRIDQZFE-UHFFFAOYSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.83
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide
CID 119819909
N-[2-(2-methoxyphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119804831
N-[2-(2-fluorophenoxy)butyl]-4-(methylamino)butanamide;hydrochloride
CID 119813320
N-(2-phenoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119734660
2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187038
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119776295
3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride
CID 119813328
N-[2-(2-fluorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335715
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
CID 119340588
N-[2-(2-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371407
2,2-difluoro-N-[(2S)-2-(2-fluorophenoxy)butyl]-2-(1-hydroxycyclobutyl)acetamide
CID 97240972
2,2-difluoro-N-[2-(2-fluorophenoxy)butyl]-2-(1-hydroxycyclobutyl)acetamide
CID 75387966

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119813356) is N-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CCC(CNC(=O)CC1CCCN1)Oc1ccccc1F.Cl.
What is the InChIKey of N-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is VYGBITHRIDQZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2.ClH/c1-2-13(21-15-8-4-3-7-14(15)17)11-19-16(20)10-12-6-5-9-18-12;/h3-4,7-8,12-13,18H,2,5-6,9-11H2,1H3,(H,19,20);1H.
What are the key properties of N-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 330.83 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119813356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).