2-[6-[2-(3-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

C24H25FN2O6 — CID 42846484

About 2-[6-[2-(3-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

2-[6-[2-(3-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 42846484) has the molecular formula C24H25FN2O6 and a molecular weight of 456.47 g/mol. Its IUPAC name is 2-[6-[2-(3-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 2-[6-[2-(3-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
• PubChem CID: 42846484
• Molecular Formula: C24H25FN2O6
• Molecular Weight: 456.47 g/mol
• Exact Mass: 456.17
• IUPAC Name: 2-[6-[2-(3-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
• SMILES: CC(C(=O)NCC1CCCO1)N1C(=O)COc2ccc(C(=O)COc3cccc(F)c3)cc21
• InChI: InChI=1S/C24H25FN2O6/c1-15(24(30)26-12-19-6-3-9-31-19)27-20-10-16(7-8-22(20)33-14-23(27)29)21(28)13-32-18-5-2-4-17(25)11-18/h2,4-5,7-8,10-11,15,19H,3,6,9,12-14H2,1H3,(H,26,30)
• InChIKey: RHRLPHNQOJKMCH-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 94.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.47
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(3-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?

The IUPAC name of 2-[6-[2-(3-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 42846484) is 2-[6-[2-(3-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.

What is the SMILES notation for 2-[6-[2-(3-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?

The canonical SMILES for 2-[6-[2-(3-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is CC(C(=O)NCC1CCCO1)N1C(=O)COc2ccc(C(=O)COc3cccc(F)c3)cc21.

What is the InChIKey of 2-[6-[2-(3-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?

The InChIKey is RHRLPHNQOJKMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O6/c1-15(24(30)26-12-19-6-3-9-31-19)27-20-10-16(7-8-22(20)33-14-23(27)29)21(28)13-32-18-5-2-4-17(25)11-18/h2,4-5,7-8,10-11,15,19H,3,6,9,12-14H2,1H3,(H,26,30).

What are the key properties of 2-[6-[2-(3-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?

2-[6-[2-(3-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 456.47 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-(3-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 42846484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).