2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide

C18H25FN2O3 — CID 110127437

IUPAC2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide
SMILESCN(C(=O)COc1ccccc1F)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O
InChIInChI=1S/C18H25FN2O3/c1-20(17(22)12-24-16-7-3-2-6-13(16)19)14-8-9-15(18(14)23)21-10-4-5-11-21/h2-3,6-7,14-15,18,23H,4-5,8-12H2,1H3/t14-,15-,18-/m1/s1
InChIKeyMVMXGQQRJSMVIU-IIDMSEBBSA-N
MW336.41 g/mol
LogP1.65
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide

2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide (PubChem CID 110127437) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide
PubChem CID110127437
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide
SMILESCN(C(=O)COc1ccccc1F)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O
InChIInChI=1S/C18H25FN2O3/c1-20(17(22)12-24-16-7-3-2-6-13(16)19)14-8-9-15(18(14)23)21-10-4-5-11-21/h2-3,6-7,14-15,18,23H,4-5,8-12H2,1H3/t14-,15-,18-/m1/s1
InChIKeyMVMXGQQRJSMVIU-IIDMSEBBSA-N
XLogP1.65
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide (CID 110127437) is 2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide is CN(C(=O)COc1ccccc1F)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide?
The InChIKey is MVMXGQQRJSMVIU-IIDMSEBBSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-20(17(22)12-24-16-7-3-2-6-13(16)19)14-8-9-15(18(14)23)21-10-4-5-11-21/h2-3,6-7,14-15,18,23H,4-5,8-12H2,1H3/t14-,15-,18-/m1/s1.
What are the key properties of 2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide?
2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide has a molecular weight of 336.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide is sourced from PubChem (CID 110127437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).