N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide

C27H27F2N3O — CID 123456382

About N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide

N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 123456382) has the molecular formula C27H27F2N3O and a molecular weight of 447.53 g/mol. Its IUPAC name is N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide
• PubChem CID: 123456382
• Molecular Formula: C27H27F2N3O
• Molecular Weight: 447.53 g/mol
• Exact Mass: 447.21
• IUPAC Name: N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide
• SMILES: O=C(Cc1ccc(F)cc1)Nc1nc2c(nc1CC1CCCCC1)-c1ccc(F)cc1CC2
• InChI: InChI=1S/C27H27F2N3O/c28-20-9-6-18(7-10-20)15-25(33)32-27-24(14-17-4-2-1-3-5-17)30-26-22-12-11-21(29)16-19(22)8-13-23(26)31-27/h6-7,9-12,16-17H,1-5,8,13-15H2,(H,31,32,33)
• InChIKey: SGSOZOMLLQTRRT-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.53
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide?

The IUPAC name of N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide (CID 123456382) is N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide.

What is the SMILES notation for N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide?

The canonical SMILES for N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1nc2c(nc1CC1CCCCC1)-c1ccc(F)cc1CC2.

What is the InChIKey of N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide?

The InChIKey is SGSOZOMLLQTRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N3O/c28-20-9-6-18(7-10-20)15-25(33)32-27-24(14-17-4-2-1-3-5-17)30-26-22-12-11-21(29)16-19(22)8-13-23(26)31-27/h6-7,9-12,16-17H,1-5,8,13-15H2,(H,31,32,33).

What are the key properties of N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide?

N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 447.53 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 123456382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).