N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

C23H17BrN4O5 — CID 34307056

About N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 34307056) has the molecular formula C23H17BrN4O5 and a molecular weight of 509.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
• PubChem CID: 34307056
• Molecular Formula: C23H17BrN4O5
• Molecular Weight: 509.32 g/mol
• Exact Mass: 508.04
• IUPAC Name: N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
• SMILES: O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1
• InChI: InChI=1S/C23H17BrN4O5/c24-15-7-9-16(10-8-15)25-21(29)13-20-22(30)26-18-3-1-2-4-19(18)27(20)23(31)14-5-11-17(12-6-14)28(32)33/h1-12,20H,13H2,(H,25,29)(H,26,30)/t20-/m1/s1
• InChIKey: GRAQXJNFMHGUBU-HXUWFJFHSA-N
• XLogP: 4.35
• TPSA: 121.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.32
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?

The IUPAC name of N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (CID 34307056) is N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

What is the SMILES notation for N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?

The canonical SMILES for N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1.

What is the InChIKey of N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?

The InChIKey is GRAQXJNFMHGUBU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H17BrN4O5/c24-15-7-9-16(10-8-15)25-21(29)13-20-22(30)26-18-3-1-2-4-19(18)27(20)23(31)14-5-11-17(12-6-14)28(32)33/h1-12,20H,13H2,(H,25,29)(H,26,30)/t20-/m1/s1.

What are the key properties of N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?

N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 509.32 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 34307056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).