N-[1-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

C23H24F5N3O3 — CID 55344394

About N-[1-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

N-[1-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide (PubChem CID 55344394) has the molecular formula C23H24F5N3O3 and a molecular weight of 485.45 g/mol. Its IUPAC name is N-[1-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide.

Molecular Properties

• Compound Name: N-[1-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
• PubChem CID: 55344394
• Molecular Formula: C23H24F5N3O3
• Molecular Weight: 485.45 g/mol
• Exact Mass: 485.17
• IUPAC Name: N-[1-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
• SMILES: CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C(NC(=O)c1c(F)cccc1F)C(C)C
• InChI: InChI=1S/C23H24F5N3O3/c1-4-31(12-18(32)29-17-11-6-5-8-14(17)23(26,27)28)22(34)20(13(2)3)30-21(33)19-15(24)9-7-10-16(19)25/h5-11,13,20H,4,12H2,1-3H3,(H,29,32)(H,30,33)
• InChIKey: RWKOGNFBVRTOFB-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.45
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?

The IUPAC name of N-[1-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide (CID 55344394) is N-[1-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide.

What is the SMILES notation for N-[1-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?

The canonical SMILES for N-[1-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C(NC(=O)c1c(F)cccc1F)C(C)C.

What is the InChIKey of N-[1-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?

The InChIKey is RWKOGNFBVRTOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F5N3O3/c1-4-31(12-18(32)29-17-11-6-5-8-14(17)23(26,27)28)22(34)20(13(2)3)30-21(33)19-15(24)9-7-10-16(19)25/h5-11,13,20H,4,12H2,1-3H3,(H,29,32)(H,30,33).

What are the key properties of N-[1-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?

N-[1-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide has a molecular weight of 485.45 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 55344394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).