N-(2-fluorophenyl)-2-[(1R,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide

C19H21FN2O3 — CID 98060166

IUPACN-(2-fluorophenyl)-2-[(1R,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESO=C(CN1[C@@H]2CC[C@@H]1CC(O)(c1ccco1)C2)Nc1ccccc1F
InChIInChI=1S/C19H21FN2O3/c20-15-4-1-2-5-16(15)21-18(23)12-22-13-7-8-14(22)11-19(24,10-13)17-6-3-9-25-17/h1-6,9,13-14,24H,7-8,10-12H2,(H,21,23)/t13-,14-/m1/s1
InChIKeyVLYPFSDSYDQBCW-ZIAGYGMSSA-N
MW344.39 g/mol
LogP2.87
Rot. Bonds4

About N-(2-fluorophenyl)-2-[(1R,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide

N-(2-fluorophenyl)-2-[(1R,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide (PubChem CID 98060166) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(1R,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(1R,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
PubChem CID98060166
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-(2-fluorophenyl)-2-[(1R,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESO=C(CN1[C@@H]2CC[C@@H]1CC(O)(c1ccco1)C2)Nc1ccccc1F
InChIInChI=1S/C19H21FN2O3/c20-15-4-1-2-5-16(15)21-18(23)12-22-13-7-8-14(22)11-19(24,10-13)17-6-3-9-25-17/h1-6,9,13-14,24H,7-8,10-12H2,(H,21,23)/t13-,14-/m1/s1
InChIKeyVLYPFSDSYDQBCW-ZIAGYGMSSA-N
XLogP2.87
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridin-2-ylacetamide
CID 16669453
N-benzyl-2-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 16669784
N-(2-fluorophenyl)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl]acetamide
CID 124787103
2-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 16669661
2-[(1S,5S)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 98060387
N-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 126468644
N-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid
CID 71784502
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 87022436
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide
CID 22194026
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 95797305
N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 771844

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(1R,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(1R,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide (CID 98060166) is N-(2-fluorophenyl)-2-[(1R,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(1R,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(1R,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide is O=C(CN1[C@@H]2CC[C@@H]1CC(O)(c1ccco1)C2)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(1R,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The InChIKey is VLYPFSDSYDQBCW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-15-4-1-2-5-16(15)21-18(23)12-22-13-7-8-14(22)11-19(24,10-13)17-6-3-9-25-17/h1-6,9,13-14,24H,7-8,10-12H2,(H,21,23)/t13-,14-/m1/s1.
What are the key properties of N-(2-fluorophenyl)-2-[(1R,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
N-(2-fluorophenyl)-2-[(1R,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(1R,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide is sourced from PubChem (CID 98060166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).