N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide

C26H25F2N3O — CID 123895806

About N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide

N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide (PubChem CID 123895806) has the molecular formula C26H25F2N3O and a molecular weight of 433.50 g/mol. Its IUPAC name is N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide
• PubChem CID: 123895806
• Molecular Formula: C26H25F2N3O
• Molecular Weight: 433.50 g/mol
• Exact Mass: 433.20
• IUPAC Name: N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide
• SMILES: O=C(Cc1ccc(F)c(F)c1)Nc1nc2c(nc1C1CCCCC1)-c1ccccc1CC2
• InChI: InChI=1S/C26H25F2N3O/c27-20-12-10-16(14-21(20)28)15-23(32)30-26-24(18-7-2-1-3-8-18)31-25-19-9-5-4-6-17(19)11-13-22(25)29-26/h4-6,9-10,12,14,18H,1-3,7-8,11,13,15H2,(H,29,30,32)
• InChIKey: SOISDWRZTFGZPZ-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.50
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide?

The IUPAC name of N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide (CID 123895806) is N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide.

What is the SMILES notation for N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide?

The canonical SMILES for N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide is O=C(Cc1ccc(F)c(F)c1)Nc1nc2c(nc1C1CCCCC1)-c1ccccc1CC2.

What is the InChIKey of N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide?

The InChIKey is SOISDWRZTFGZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O/c27-20-12-10-16(14-21(20)28)15-23(32)30-26-24(18-7-2-1-3-8-18)31-25-19-9-5-4-6-17(19)11-13-22(25)29-26/h4-6,9-10,12,14,18H,1-3,7-8,11,13,15H2,(H,29,30,32).

What are the key properties of N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide?

N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide has a molecular weight of 433.50 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 123895806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).