N-[(2S,3S)-3-methyl-1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopentan-2-yl]benzamide

C23H26F3N3O3 — CID 24545770

About N-[(2S,3S)-3-methyl-1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopentan-2-yl]benzamide

N-[(2S,3S)-3-methyl-1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopentan-2-yl]benzamide (PubChem CID 24545770) has the molecular formula C23H26F3N3O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is N-[(2S,3S)-3-methyl-1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopentan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[(2S,3S)-3-methyl-1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopentan-2-yl]benzamide
• PubChem CID: 24545770
• Molecular Formula: C23H26F3N3O3
• Molecular Weight: 449.47 g/mol
• Exact Mass: 449.19
• IUPAC Name: N-[(2S,3S)-3-methyl-1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopentan-2-yl]benzamide
• SMILES: CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F
• InChI: InChI=1S/C23H26F3N3O3/c1-4-15(2)20(28-21(31)16-10-6-5-7-11-16)22(32)29(3)14-19(30)27-18-13-9-8-12-17(18)23(24,25)26/h5-13,15,20H,4,14H2,1-3H3,(H,27,30)(H,28,31)/t15-,20-/m0/s1
• InChIKey: FUIPYYQSHDJEDQ-YWZLYKJASA-N
• XLogP: 3.95
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.47
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(2S,3S)-3-methyl-1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopentan-2-yl]benzamide (CID 24545770) is N-[(2S,3S)-3-methyl-1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopentan-2-yl]benzamide.

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

The canonical SMILES for N-[(2S,3S)-3-methyl-1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F.

What is the InChIKey of N-[(2S,3S)-3-methyl-1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopentan-2-yl]benzamide?

The InChIKey is FUIPYYQSHDJEDQ-YWZLYKJASA-N. The full InChI is InChI=1S/C23H26F3N3O3/c1-4-15(2)20(28-21(31)16-10-6-5-7-11-16)22(32)29(3)14-19(30)27-18-13-9-8-12-17(18)23(24,25)26/h5-13,15,20H,4,14H2,1-3H3,(H,27,30)(H,28,31)/t15-,20-/m0/s1.

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

N-[(2S,3S)-3-methyl-1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopentan-2-yl]benzamide has a molecular weight of 449.47 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3S)-3-methyl-1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 24545770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).