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

C108H85BrClF5N12O9 — CID 158392946

IUPAC2-(4-bromophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1nc2c(nc1C(O)c1ccccc1)-c1ccc(F)cc1CC2.O=C(Cc1ccc(Cl)cc1)Nc1nc2c(nc1C(O)c1ccccc1)-c1ccc(F)cc1CC2.O=C(Cc1ccc(F)cc1)Nc1nc2c(nc1C(O)c1ccccc1)-c1ccc(F)cc1CC2.O=C(Cc1ccc(O)cc1)Nc1nc2c(nc1C(O)c1ccccc1)-c1ccc(F)cc1CC2
InChIInChI=1S/C27H21BrFN3O2.C27H21ClFN3O2.C27H21F2N3O2.C27H22FN3O3/c3*28-19-9-6-16(7-10-19)14-23(33)31-27-25(26(34)17-4-2-1-3-5-17)32-24-21-12-11-20(29)15-18(21)8-13-22(24)30-27;28-19-9-12-21-18(15-19)8-13-22-24(21)31-25(26(34)17-4-2-1-3-5-17)27(29-22)30-23(33)14-16-6-10-20(32)11-7-16/h3*1-7,9-12,15,26,34H,8,13-14H2,(H,30,31,33);1-7,9-12,15,26,32,34H,8,13-14H2,(H,29,30,33)
InChIKeyGXEPYKMNOSIUOI-UHFFFAOYSA-N
MW1905.29 g/mol
LogP19.84
Rot. Bonds20

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

2-(4-bromophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 158392946) has the molecular formula C108H85BrClF5N12O9 and a molecular weight of 1905.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide
PubChem CID158392946
Molecular FormulaC108H85BrClF5N12O9
Molecular Weight1905.29 g/mol
Exact Mass1902.54
IUPAC Name2-(4-bromophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1nc2c(nc1C(O)c1ccccc1)-c1ccc(F)cc1CC2.O=C(Cc1ccc(Cl)cc1)Nc1nc2c(nc1C(O)c1ccccc1)-c1ccc(F)cc1CC2.O=C(Cc1ccc(F)cc1)Nc1nc2c(nc1C(O)c1ccccc1)-c1ccc(F)cc1CC2.O=C(Cc1ccc(O)cc1)Nc1nc2c(nc1C(O)c1ccccc1)-c1ccc(F)cc1CC2
InChIInChI=1S/C27H21BrFN3O2.C27H21ClFN3O2.C27H21F2N3O2.C27H22FN3O3/c3*28-19-9-6-16(7-10-19)14-23(33)31-27-25(26(34)17-4-2-1-3-5-17)32-24-21-12-11-20(29)15-18(21)8-13-22(24)30-27;28-19-9-12-21-18(15-19)8-13-22-24(21)31-25(26(34)17-4-2-1-3-5-17)27(29-22)30-23(33)14-16-6-10-20(32)11-7-16/h3*1-7,9-12,15,26,34H,8,13-14H2,(H,30,31,33);1-7,9-12,15,26,32,34H,8,13-14H2,(H,29,30,33)
InChIKeyGXEPYKMNOSIUOI-UHFFFAOYSA-N
XLogP19.84
TPSA320.67 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001905.29
LogP ≤ 519.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 2-(4-bromophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 136625361
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
N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 137093462
N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide
CID 70830271
ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
CID 143000542
2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 159222419
2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
CID 137030979
2-(4-bromophenyl)-N-[8-hydroxy-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 140639397
2-(4-bromophenyl)-N-[8-hydroxy-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 137082794
N-[8-fluoro-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide
CID 136625052
N-[8-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide
CID 123507787
N-(2-cyclohexyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide
CID 123717833

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide (CID 158392946) is 2-(4-bromophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(Br)cc1)Nc1nc2c(nc1C(O)c1ccccc1)-c1ccc(F)cc1CC2.O=C(Cc1ccc(Cl)cc1)Nc1nc2c(nc1C(O)c1ccccc1)-c1ccc(F)cc1CC2.O=C(Cc1ccc(F)cc1)Nc1nc2c(nc1C(O)c1ccccc1)-c1ccc(F)cc1CC2.O=C(Cc1ccc(O)cc1)Nc1nc2c(nc1C(O)c1ccccc1)-c1ccc(F)cc1CC2.
What is the InChIKey of 2-(4-bromophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is GXEPYKMNOSIUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrFN3O2.C27H21ClFN3O2.C27H21F2N3O2.C27H22FN3O3/c3*28-19-9-6-16(7-10-19)14-23(33)31-27-25(26(34)17-4-2-1-3-5-17)32-24-21-12-11-20(29)15-18(21)8-13-22(24)30-27;28-19-9-12-21-18(15-19)8-13-22-24(21)31-25(26(34)17-4-2-1-3-5-17)27(29-22)30-23(33)14-16-6-10-20(32)11-7-16/h3*1-7,9-12,15,26,34H,8,13-14H2,(H,30,31,33);1-7,9-12,15,26,32,34H,8,13-14H2,(H,29,30,33).
What are the key properties of 2-(4-bromophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide?
2-(4-bromophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 1905.29 g/mol, XLogP of 19.84, 20 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide;N-[8-fluoro-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 158392946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).