N-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C15H21FN2O2 — CID 78942428

IUPACN-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCC[C@H]1CO)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-2-18(13-7-5-12(16)6-8-13)15(20)10-17-9-3-4-14(17)11-19/h5-8,14,19H,2-4,9-11H2,1H3/t14-/m0/s1
InChIKeyXPOMDFGDAKXVHJ-AWEZNQCLSA-N
MW280.34 g/mol
LogP1.64
Rot. Bonds5

About N-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 78942428) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID78942428
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCC[C@H]1CO)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-2-18(13-7-5-12(16)6-8-13)15(20)10-17-9-3-4-14(17)11-19/h5-8,14,19H,2-4,9-11H2,1H3/t14-/m0/s1
InChIKeyXPOMDFGDAKXVHJ-AWEZNQCLSA-N
XLogP1.64
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 78942428) is N-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is CCN(C(=O)CN1CCC[C@H]1CO)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is XPOMDFGDAKXVHJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-18(13-7-5-12(16)6-8-13)15(20)10-17-9-3-4-14(17)11-19/h5-8,14,19H,2-4,9-11H2,1H3/t14-/m0/s1.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 280.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 78942428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).