2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide

C24H18Cl2FN3O4 — CID 34310081

About 2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide

2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 34310081) has the molecular formula C24H18Cl2FN3O4 and a molecular weight of 502.33 g/mol. Its IUPAC name is 2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide
• PubChem CID: 34310081
• Molecular Formula: C24H18Cl2FN3O4
• Molecular Weight: 502.33 g/mol
• Exact Mass: 501.07
• IUPAC Name: 2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide
• SMILES: O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)COc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1
• InChI: InChI=1S/C24H18Cl2FN3O4/c25-14-5-10-21(17(26)11-14)34-13-23(32)30-19-4-2-1-3-18(19)29-24(33)20(30)12-22(31)28-16-8-6-15(27)7-9-16/h1-11,20H,12-13H2,(H,28,31)(H,29,33)/t20-/m0/s1
• InChIKey: RLCSJTTYIJUBHM-FQEVSTJZSA-N
• XLogP: 4.89
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.33
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide?

The IUPAC name of 2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide (CID 34310081) is 2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide.

What is the SMILES notation for 2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide?

The canonical SMILES for 2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide is O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)COc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1.

What is the InChIKey of 2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide?

The InChIKey is RLCSJTTYIJUBHM-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H18Cl2FN3O4/c25-14-5-10-21(17(26)11-14)34-13-23(32)30-19-4-2-1-3-18(19)29-24(33)20(30)12-22(31)28-16-8-6-15(27)7-9-16/h1-11,20H,12-13H2,(H,28,31)(H,29,33)/t20-/m0/s1.

What are the key properties of 2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide?

2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 502.33 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 34310081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).