N-ethoxy-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide

C15H21FN2O2 — CID 141137839

IUPACN-ethoxy-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCON(C(C)=O)[C@H]1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O2/c1-3-20-18(12(2)19)15-8-9-17(11-15)10-13-4-6-14(16)7-5-13/h4-7,15H,3,8-11H2,1-2H3/t15-/m0/s1
InChIKeyJVEDTOBGAGAXHF-HNNXBMFYSA-N
MW280.34 g/mol
LogP2.20
Rot. Bonds5

About N-ethoxy-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide

N-ethoxy-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 141137839) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-ethoxy-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-ethoxy-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID141137839
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-ethoxy-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCON(C(C)=O)[C@H]1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O2/c1-3-20-18(12(2)19)15-8-9-17(11-15)10-13-4-6-14(16)7-5-13/h4-7,15H,3,8-11H2,1-2H3/t15-/m0/s1
InChIKeyJVEDTOBGAGAXHF-HNNXBMFYSA-N
XLogP2.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-ethoxy-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide (CID 141137839) is N-ethoxy-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-ethoxy-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-ethoxy-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide is CCON(C(C)=O)[C@H]1CCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-ethoxy-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is JVEDTOBGAGAXHF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-3-20-18(12(2)19)15-8-9-17(11-15)10-13-4-6-14(16)7-5-13/h4-7,15H,3,8-11H2,1-2H3/t15-/m0/s1.
What are the key properties of N-ethoxy-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide?
N-ethoxy-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 280.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 141137839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).