3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]benzamide

C19H25FN2O5 — CID 54640540

About 3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]benzamide

3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]benzamide (PubChem CID 54640540) has the molecular formula C19H25FN2O5 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]benzamide
• PubChem CID: 54640540
• Molecular Formula: C19H25FN2O5
• Molecular Weight: 380.42 g/mol
• Exact Mass: 380.17
• IUPAC Name: 3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]benzamide
• SMILES: O=C(N[C@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1cccc(F)c1
• InChI: InChI=1S/C19H25FN2O5/c20-14-3-1-2-13(10-14)19(25)21-16-5-4-15(27-17(16)12-23)11-18(24)22-6-8-26-9-7-22/h1-3,10,15-17,23H,4-9,11-12H2,(H,21,25)/t15-,16+,17-/m1/s1
• InChIKey: BVKYPNZNGBYIEE-IXDOHACOSA-N
• XLogP: 0.71
• TPSA: 88.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.42
LogP ≤ 5	0.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]benzamide?

The IUPAC name of 3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]benzamide (CID 54640540) is 3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]benzamide.

What is the SMILES notation for 3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]benzamide?

The canonical SMILES for 3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]benzamide is O=C(N[C@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1cccc(F)c1.

What is the InChIKey of 3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]benzamide?

The InChIKey is BVKYPNZNGBYIEE-IXDOHACOSA-N. The full InChI is InChI=1S/C19H25FN2O5/c20-14-3-1-2-13(10-14)19(25)21-16-5-4-15(27-17(16)12-23)11-18(24)22-6-8-26-9-7-22/h1-3,10,15-17,23H,4-9,11-12H2,(H,21,25)/t15-,16+,17-/m1/s1.

What are the key properties of 3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]benzamide?

3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]benzamide has a molecular weight of 380.42 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]benzamide is sourced from PubChem (CID 54640540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).