4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide

C27H35F2N3O5 — CID 42862340

About 4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide

4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 42862340) has the molecular formula C27H35F2N3O5 and a molecular weight of 519.59 g/mol. Its IUPAC name is 4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
• PubChem CID: 42862340
• Molecular Formula: C27H35F2N3O5
• Molecular Weight: 519.59 g/mol
• Exact Mass: 519.25
• IUPAC Name: 4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
• SMILES: O=C(c1ccc(F)cc1)N(CCN1CCOCC1)CC1CN(CC(O)COc2ccc(F)cc2)CCO1
• InChI: InChI=1S/C27H35F2N3O5/c28-22-3-1-21(2-4-22)27(34)32(10-9-30-11-14-35-15-12-30)19-26-18-31(13-16-36-26)17-24(33)20-37-25-7-5-23(29)6-8-25/h1-8,24,26,33H,9-20H2
• InChIKey: APNAUTZPSGDCLS-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 74.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.59
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?

The IUPAC name of 4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 42862340) is 4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide.

What is the SMILES notation for 4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?

The canonical SMILES for 4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide is O=C(c1ccc(F)cc1)N(CCN1CCOCC1)CC1CN(CC(O)COc2ccc(F)cc2)CCO1.

What is the InChIKey of 4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?

The InChIKey is APNAUTZPSGDCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F2N3O5/c28-22-3-1-21(2-4-22)27(34)32(10-9-30-11-14-35-15-12-30)19-26-18-31(13-16-36-26)17-24(33)20-37-25-7-5-23(29)6-8-25/h1-8,24,26,33H,9-20H2.

What are the key properties of 4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?

4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 519.59 g/mol, XLogP of 1.88, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 42862340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).