3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide

C21H33FN2O3 — CID 99732290

About 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide

3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 99732290) has the molecular formula C21H33FN2O3 and a molecular weight of 380.50 g/mol. Its IUPAC name is 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
• PubChem CID: 99732290
• Molecular Formula: C21H33FN2O3
• Molecular Weight: 380.50 g/mol
• Exact Mass: 380.25
• IUPAC Name: 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
• SMILES: CC(C)CN(C[C@H]1CN(C[C@@H](O)C(C)C)CCO1)C(=O)c1cccc(F)c1
• InChI: InChI=1S/C21H33FN2O3/c1-15(2)11-24(21(26)17-6-5-7-18(22)10-17)13-19-12-23(8-9-27-19)14-20(25)16(3)4/h5-7,10,15-16,19-20,25H,8-9,11-14H2,1-4H3/t19-,20-/m1/s1
• InChIKey: LIZGPKJLZNGPIL-WOJBJXKFSA-N
• XLogP: 2.64
• TPSA: 53.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.50
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide (CID 99732290) is 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide.

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

The canonical SMILES for 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide is CC(C)CN(C[C@H]1CN(C[C@@H](O)C(C)C)CCO1)C(=O)c1cccc(F)c1.

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

The InChIKey is LIZGPKJLZNGPIL-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H33FN2O3/c1-15(2)11-24(21(26)17-6-5-7-18(22)10-17)13-19-12-23(8-9-27-19)14-20(25)16(3)4/h5-7,10,15-16,19-20,25H,8-9,11-14H2,1-4H3/t19-,20-/m1/s1.

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

3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 380.50 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 99732290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).