2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide

C16H23FN2O2 — CID 95296221

IUPAC2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCOCCN1CCC[C@H]1CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-21-9-8-19-7-3-6-15(19)12-18-16(20)11-13-4-2-5-14(17)10-13/h2,4-5,10,15H,3,6-9,11-12H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyWPCHURWIOKKYDL-HNNXBMFYSA-N
MW294.37 g/mol
LogP1.60
Rot. Bonds7

About 2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide

2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide (PubChem CID 95296221) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
PubChem CID95296221
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCOCCN1CCC[C@H]1CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-21-9-8-19-7-3-6-15(19)12-18-16(20)11-13-4-2-5-14(17)10-13/h2,4-5,10,15H,3,6-9,11-12H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyWPCHURWIOKKYDL-HNNXBMFYSA-N
XLogP1.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenoxy)propyl]-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylguanidine
CID 111682028
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 61399758
N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylsulfonylbenzamide
CID 95271489
1-(3-acetylphenyl)-3-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]urea
CID 95155114
2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 120596413
2,5-difluoro-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94825248
2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94825249
1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide
CID 124861745
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166188485
2-(1-hydroxycyclopentyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 111430877
3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride
CID 119874866
2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
CID 131641109

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide (CID 95296221) is 2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide is COCCN1CCC[C@H]1CNC(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is WPCHURWIOKKYDL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-21-9-8-19-7-3-6-15(19)12-18-16(20)11-13-4-2-5-14(17)10-13/h2,4-5,10,15H,3,6-9,11-12H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide?
2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 294.37 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 95296221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).