4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide

C18H20FN3O3 — CID 75536638

IUPAC4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O3/c19-13-6-4-12(5-7-13)18(24)22-10-16-17(23)15(11-25-16)21-9-14-3-1-2-8-20-14/h1-8,15-17,21,23H,9-11H2,(H,22,24)/t15-,16-,17+/m1/s1
InChIKeyFVAIQYKSQYXSSZ-ZACQAIPSSA-N
MW345.37 g/mol
LogP0.87
Rot. Bonds6

About 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide

4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide (PubChem CID 75536638) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide
PubChem CID75536638
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O3/c19-13-6-4-12(5-7-13)18(24)22-10-16-17(23)15(11-25-16)21-9-14-3-1-2-8-20-14/h1-8,15-17,21,23H,9-11H2,(H,22,24)/t15-,16-,17+/m1/s1
InChIKeyFVAIQYKSQYXSSZ-ZACQAIPSSA-N
XLogP0.87
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide (CID 75536638) is 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide?
The InChIKey is FVAIQYKSQYXSSZ-ZACQAIPSSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-13-6-4-12(5-7-13)18(24)22-10-16-17(23)15(11-25-16)21-9-14-3-1-2-8-20-14/h1-8,15-17,21,23H,9-11H2,(H,22,24)/t15-,16-,17+/m1/s1.
What are the key properties of 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide?
4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide has a molecular weight of 345.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 75536638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).