4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide

C24H38FN3O5 — CID 92989592

About 4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide

4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 92989592) has the molecular formula C24H38FN3O5 and a molecular weight of 467.58 g/mol. Its IUPAC name is 4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
• PubChem CID: 92989592
• Molecular Formula: C24H38FN3O5
• Molecular Weight: 467.58 g/mol
• Exact Mass: 467.28
• IUPAC Name: 4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
• SMILES: CC(C)OC[C@H](O)CN1CCO[C@H](CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1
• InChI: InChI=1S/C24H38FN3O5/c1-19(2)33-18-22(29)15-27-11-14-32-23(16-27)17-28(8-7-26-9-12-31-13-10-26)24(30)20-3-5-21(25)6-4-20/h3-6,19,22-23,29H,7-18H2,1-2H3/t22-,23+/m1/s1
• InChIKey: JWHPRFMCAJRZOB-PKTZIBPZSA-N
• XLogP: 1.09
• TPSA: 74.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.58
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?

The IUPAC name of 4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 92989592) is 4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide.

What is the SMILES notation for 4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?

The canonical SMILES for 4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide is CC(C)OC[C@H](O)CN1CCO[C@H](CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1.

What is the InChIKey of 4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?

The InChIKey is JWHPRFMCAJRZOB-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H38FN3O5/c1-19(2)33-18-22(29)15-27-11-14-32-23(16-27)17-28(8-7-26-9-12-31-13-10-26)24(30)20-3-5-21(25)6-4-20/h3-6,19,22-23,29H,7-18H2,1-2H3/t22-,23+/m1/s1.

What are the key properties of 4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?

4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 467.58 g/mol, XLogP of 1.09, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 92989592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).