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

C17H23FN2O2 — CID 95334411

IUPAC2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1CC[C@@H](c2ccccc2F)C1)NC[C@@H]1CCCO1
InChIInChI=1S/C17H23FN2O2/c18-16-6-2-1-5-15(16)13-7-8-20(11-13)12-17(21)19-10-14-4-3-9-22-14/h1-2,5-6,13-14H,3-4,7-12H2,(H,19,21)/t13-,14+/m1/s1
InChIKeyVGGKFZXHDQSYJS-KGLIPLIRSA-N
MW306.38 g/mol
LogP1.91
Rot. Bonds5

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

2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 95334411) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID95334411
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1CC[C@@H](c2ccccc2F)C1)NC[C@@H]1CCCO1
InChIInChI=1S/C17H23FN2O2/c18-16-6-2-1-5-15(16)13-7-8-20(11-13)12-17(21)19-10-14-4-3-9-22-14/h1-2,5-6,13-14H,3-4,7-12H2,(H,19,21)/t13-,14+/m1/s1
InChIKeyVGGKFZXHDQSYJS-KGLIPLIRSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-fluorophenyl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 71862821
2-[(3R)-3-aminopyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129381630
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78834128
2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 75431188
N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 60504183
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 107225746
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124756613
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16810440
N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 163344737
2-[4-(difluoromethyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 166601670
2-(4-formylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 62655740

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 95334411) is 2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(CN1CC[C@@H](c2ccccc2F)C1)NC[C@@H]1CCCO1.
What is the InChIKey of 2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is VGGKFZXHDQSYJS-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-16-6-2-1-5-15(16)13-7-8-20(11-13)12-17(21)19-10-14-4-3-9-22-14/h1-2,5-6,13-14H,3-4,7-12H2,(H,19,21)/t13-,14+/m1/s1.
What are the key properties of 2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 306.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 95334411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).