(2S)-2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide

C23H24ClFN4O — CID 59553683

About (2S)-2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide

(2S)-2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 59553683) has the molecular formula C23H24ClFN4O and a molecular weight of 426.92 g/mol. Its IUPAC name is (2S)-2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

• Compound Name: (2S)-2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide
• PubChem CID: 59553683
• Molecular Formula: C23H24ClFN4O
• Molecular Weight: 426.92 g/mol
• Exact Mass: 426.16
• IUPAC Name: (2S)-2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide
• SMILES: CNC(=O)[C@@H](N[C@H](CCc1cnc(Cl)cn1)c1ccc(F)c(C)c1)c1ccccc1
• InChI: InChI=1S/C23H24ClFN4O/c1-15-12-17(8-10-19(15)25)20(11-9-18-13-28-21(24)14-27-18)29-22(23(30)26-2)16-6-4-3-5-7-16/h3-8,10,12-14,20,22,29H,9,11H2,1-2H3,(H,26,30)/t20-,22+/m1/s1
• InChIKey: FZDVOTLKHHQANR-IRLDBZIGSA-N
• XLogP: 4.33
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.92
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide?

The IUPAC name of (2S)-2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide (CID 59553683) is (2S)-2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide.

What is the SMILES notation for (2S)-2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide?

The canonical SMILES for (2S)-2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)[C@@H](N[C@H](CCc1cnc(Cl)cn1)c1ccc(F)c(C)c1)c1ccccc1.

What is the InChIKey of (2S)-2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide?

The InChIKey is FZDVOTLKHHQANR-IRLDBZIGSA-N. The full InChI is InChI=1S/C23H24ClFN4O/c1-15-12-17(8-10-19(15)25)20(11-9-18-13-28-21(24)14-27-18)29-22(23(30)26-2)16-6-4-3-5-7-16/h3-8,10,12-14,20,22,29H,9,11H2,1-2H3,(H,26,30)/t20-,22+/m1/s1.

What are the key properties of (2S)-2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide?

(2S)-2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 426.92 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 59553683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).