(2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide

C21H19ClF3N3O2 — CID 92865089

About (2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide

(2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide (PubChem CID 92865089) has the molecular formula C21H19ClF3N3O2 and a molecular weight of 437.85 g/mol. Its IUPAC name is (2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
• PubChem CID: 92865089
• Molecular Formula: C21H19ClF3N3O2
• Molecular Weight: 437.85 g/mol
• Exact Mass: 437.11
• IUPAC Name: (2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
• SMILES: Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)NCc3ccccc3Cl)c2cc1C
• InChI: InChI=1S/C21H19ClF3N3O2/c1-11-8-16-17(9-12(11)2)28(20(30)18(27-16)21(23,24)25)13(3)19(29)26-10-14-6-4-5-7-15(14)22/h4-9,13H,10H2,1-3H3,(H,26,29)/t13-/m0/s1
• InChIKey: GCSYATLCKOCGMS-ZDUSSCGKSA-N
• XLogP: 4.56
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.85
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide?

The IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide (CID 92865089) is (2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide.

What is the SMILES notation for (2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide?

The canonical SMILES for (2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide is Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)NCc3ccccc3Cl)c2cc1C.

What is the InChIKey of (2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide?

The InChIKey is GCSYATLCKOCGMS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H19ClF3N3O2/c1-11-8-16-17(9-12(11)2)28(20(30)18(27-16)21(23,24)25)13(3)19(29)26-10-14-6-4-5-7-15(14)22/h4-9,13H,10H2,1-3H3,(H,26,29)/t13-/m0/s1.

What are the key properties of (2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide?

(2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide has a molecular weight of 437.85 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide is sourced from PubChem (CID 92865089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).