2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

C18H21FN2O3 — CID 100711428

IUPAC2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN1C[C@@H](O)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C18H21FN2O3/c1-20(11-16-6-3-7-24-16)18(23)12-21-10-15(22)9-17(21)13-4-2-5-14(19)8-13/h2-8,15,17,22H,9-12H2,1H3/t15-,17-/m0/s1
InChIKeyYSIMVWRMJHYWOL-RDJZCZTQSA-N
MW332.38 g/mol
LogP2.18
Rot. Bonds5

About 2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 100711428) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID100711428
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN1C[C@@H](O)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C18H21FN2O3/c1-20(11-16-6-3-7-24-16)18(23)12-21-10-15(22)9-17(21)13-4-2-5-14(19)8-13/h2-8,15,17,22H,9-12H2,1H3/t15-,17-/m0/s1
InChIKeyYSIMVWRMJHYWOL-RDJZCZTQSA-N
XLogP2.18
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-cyanoethyl)-2-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
CID 128978385
N-ethyl-2-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylacetamide
CID 129447306
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
2-[4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 128978262
2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 128972858
3-[[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 129480696
N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 128982821
(3S,5R)-5-(3-fluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 129448982
(3S,5S)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480760
(3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol
CID 100722173
(3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480762
N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81219868

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (CID 100711428) is 2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is CN(Cc1ccco1)C(=O)CN1C[C@@H](O)C[C@H]1c1cccc(F)c1.
What is the InChIKey of 2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is YSIMVWRMJHYWOL-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-20(11-16-6-3-7-24-16)18(23)12-21-10-15(22)9-17(21)13-4-2-5-14(19)8-13/h2-8,15,17,22H,9-12H2,1H3/t15-,17-/m0/s1.
What are the key properties of 2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 332.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 100711428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).