N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C26H24FN3O5 — CID 43817280

About N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 43817280) has the molecular formula C26H24FN3O5 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
• PubChem CID: 43817280
• Molecular Formula: C26H24FN3O5
• Molecular Weight: 477.49 g/mol
• Exact Mass: 477.17
• IUPAC Name: N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
• SMILES: COc1cccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)CN2C(=O)COc3ccccc32)c1
• InChI: InChI=1S/C26H24FN3O5/c1-34-21-6-4-5-20(13-21)29(15-24(31)28-14-18-9-11-19(27)12-10-18)25(32)16-30-22-7-2-3-8-23(22)35-17-26(30)33/h2-13H,14-17H2,1H3,(H,28,31)
• InChIKey: QJQMGZGFOKMNRD-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.49
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?

The IUPAC name of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 43817280) is N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

What is the SMILES notation for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?

The canonical SMILES for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is COc1cccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)CN2C(=O)COc3ccccc32)c1.

What is the InChIKey of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?

The InChIKey is QJQMGZGFOKMNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O5/c1-34-21-6-4-5-20(13-21)29(15-24(31)28-14-18-9-11-19(27)12-10-18)25(32)16-30-22-7-2-3-8-23(22)35-17-26(30)33/h2-13H,14-17H2,1H3,(H,28,31).

What are the key properties of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?

N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 477.49 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 43817280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).