2-(4-bromophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide;2-(4-fluorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide

C112H93BrClF5N12O5 — CID 158841528

About 2-(4-bromophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide;2-(4-fluorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide

2-(4-bromophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide;2-(4-fluorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide (PubChem CID 158841528) has the molecular formula C112H93BrClF5N12O5 and a molecular weight of 1897.40 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide;2-(4-fluorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-bromophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide;2-(4-fluorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
• PubChem CID: 158841528
• Molecular Formula: C112H93BrClF5N12O5
• Molecular Weight: 1897.40 g/mol
• Exact Mass: 1894.62
• IUPAC Name: 2-(4-bromophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide;2-(4-fluorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
• SMILES: O=C(Cc1ccc(Br)cc1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(F)cc1CC2.O=C(Cc1ccc(Cl)cc1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(F)cc1CC2.O=C(Cc1ccc(F)cc1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(F)cc1CC2.O=C(Cc1ccc(O)cc1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(F)cc1CC2
• InChI: InChI=1S/C28H23BrFN3O.C28H23ClFN3O.C28H23F2N3O.C28H24FN3O2/c3*29-21-10-6-19(7-11-21)16-26(34)33-28-25(14-8-18-4-2-1-3-5-18)31-27-23-13-12-22(30)17-20(23)9-15-24(27)32-28;29-21-10-13-23-20(17-21)9-15-24-27(23)30-25(14-8-18-4-2-1-3-5-18)28(31-24)32-26(34)16-19-6-11-22(33)12-7-19/h3*1-7,10-13,17H,8-9,14-16H2,(H,32,33,34);1-7,10-13,17,33H,8-9,14-16H2,(H,31,32,34)
• InChIKey: IYHOEIYWUGLAFU-UHFFFAOYSA-N
• XLogP: 22.65
• TPSA: 239.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 24
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1897.40
LogP ≤ 5	22.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 2-(4-bromophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide;2-(4-fluorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide (CID 158841528) is 2-(4-bromophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide;2-(4-fluorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide.

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

The canonical SMILES for 2-(4-bromophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide;2-(4-fluorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide is O=C(Cc1ccc(Br)cc1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(F)cc1CC2.O=C(Cc1ccc(Cl)cc1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(F)cc1CC2.O=C(Cc1ccc(F)cc1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(F)cc1CC2.O=C(Cc1ccc(O)cc1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(F)cc1CC2.

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

The InChIKey is IYHOEIYWUGLAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrFN3O.C28H23ClFN3O.C28H23F2N3O.C28H24FN3O2/c3*29-21-10-6-19(7-11-21)16-26(34)33-28-25(14-8-18-4-2-1-3-5-18)31-27-23-13-12-22(30)17-20(23)9-15-24(27)32-28;29-21-10-13-23-20(17-21)9-15-24-27(23)30-25(14-8-18-4-2-1-3-5-18)28(31-24)32-26(34)16-19-6-11-22(33)12-7-19/h3*1-7,10-13,17H,8-9,14-16H2,(H,32,33,34);1-7,10-13,17,33H,8-9,14-16H2,(H,31,32,34).

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

2-(4-bromophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide;2-(4-fluorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide has a molecular weight of 1897.40 g/mol, XLogP of 22.65, 24 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide;2-(4-fluorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide is sourced from PubChem (CID 158841528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).