2-[(2R,3aS,6aS)-5-[3-(2-fluorophenyl)propanoyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide

C18H23FN2O3 — CID 131691805

IUPAC2-[(2R,3aS,6aS)-5-[3-(2-fluorophenyl)propanoyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C[C@H]2CN(C(=O)CCc3ccccc3F)C[C@H]2O1
InChIInChI=1S/C18H23FN2O3/c1-20-17(22)9-14-8-13-10-21(11-16(13)24-14)18(23)7-6-12-4-2-3-5-15(12)19/h2-5,13-14,16H,6-11H2,1H3,(H,20,22)/t13-,14+,16+/m0/s1
InChIKeyYGKWOJXHIQINLW-SQWLQELKSA-N
MW334.39 g/mol
LogP1.51
Rot. Bonds5

About 2-[(2R,3aS,6aS)-5-[3-(2-fluorophenyl)propanoyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide

2-[(2R,3aS,6aS)-5-[3-(2-fluorophenyl)propanoyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide (PubChem CID 131691805) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-[(2R,3aS,6aS)-5-[3-(2-fluorophenyl)propanoyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2R,3aS,6aS)-5-[3-(2-fluorophenyl)propanoyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
PubChem CID131691805
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name2-[(2R,3aS,6aS)-5-[3-(2-fluorophenyl)propanoyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C[C@H]2CN(C(=O)CCc3ccccc3F)C[C@H]2O1
InChIInChI=1S/C18H23FN2O3/c1-20-17(22)9-14-8-13-10-21(11-16(13)24-14)18(23)7-6-12-4-2-3-5-15(12)19/h2-5,13-14,16H,6-11H2,1H3,(H,20,22)/t13-,14+,16+/m0/s1
InChIKeyYGKWOJXHIQINLW-SQWLQELKSA-N
XLogP1.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5aS,8aS)-4-methyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-3-(2-fluorophenyl)propan-1-one
CID 131688423
1-[(2S,3aR,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(2-fluorophenyl)ethanone
CID 125226909
2-[(2S,3aS,6aS)-5-(3-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
CID 97486958
3-(2-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one
CID 175659290
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
3-(2-fluorophenyl)-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propan-1-one;formic acid
CID 171321497
2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
CID 134690227
3-(2-fluorophenyl)-1-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110603278
2-[(2R,3aS,6aS)-5-[(2-methoxy-3-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 171695415
1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 90593824
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CID 110799513

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3aS,6aS)-5-[3-(2-fluorophenyl)propanoyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide?
The IUPAC name of 2-[(2R,3aS,6aS)-5-[3-(2-fluorophenyl)propanoyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide (CID 131691805) is 2-[(2R,3aS,6aS)-5-[3-(2-fluorophenyl)propanoyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2R,3aS,6aS)-5-[3-(2-fluorophenyl)propanoyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2R,3aS,6aS)-5-[3-(2-fluorophenyl)propanoyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide is CNC(=O)C[C@H]1C[C@H]2CN(C(=O)CCc3ccccc3F)C[C@H]2O1.
What is the InChIKey of 2-[(2R,3aS,6aS)-5-[3-(2-fluorophenyl)propanoyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide?
The InChIKey is YGKWOJXHIQINLW-SQWLQELKSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-20-17(22)9-14-8-13-10-21(11-16(13)24-14)18(23)7-6-12-4-2-3-5-15(12)19/h2-5,13-14,16H,6-11H2,1H3,(H,20,22)/t13-,14+,16+/m0/s1.
What are the key properties of 2-[(2R,3aS,6aS)-5-[3-(2-fluorophenyl)propanoyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide?
2-[(2R,3aS,6aS)-5-[3-(2-fluorophenyl)propanoyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide has a molecular weight of 334.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3aS,6aS)-5-[3-(2-fluorophenyl)propanoyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide is sourced from PubChem (CID 131691805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).