2-(3,4-difluorophenyl)-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

C87H74F7IN12O8 — CID 158477977

IUPAC2-(3,4-difluorophenyl)-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCc1nc2c(nc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)CCc1cc(CO)ccc1-2.Cc1nc2c(nc1NC(=O)Cc1ccc(F)c(F)c1)CCc1cc(CO)ccc1-2.Cc1nc2c(nc1NC(=O)Cc1ccc(I)cc1)CCc1cc(CO)ccc1-2.Cc1nc2c(nc1NC(=O)c1ccccc1)CCc1cc(CO)ccc1-2
InChIInChI=1S/C22H16F5N3O2.C22H19F2N3O2.C22H20IN3O2.C21H19N3O2/c1-9-22(30-15(32)7-13-16(23)18(25)20(27)19(26)17(13)24)29-14-5-3-11-6-10(8-31)2-4-12(11)21(14)28-9;1-12-22(27-20(29)10-13-3-6-17(23)18(24)9-13)26-19-7-4-15-8-14(11-28)2-5-16(15)21(19)25-12;1-13-22(26-20(28)11-14-2-6-17(23)7-3-14)25-19-9-5-16-10-15(12-27)4-8-18(16)21(19)24-13;1-13-20(24-21(26)15-5-3-2-4-6-15)23-18-10-8-16-11-14(12-25)7-9-17(16)19(18)22-13/h2,4,6,31H,3,5,7-8H2,1H3,(H,29,30,32);2-3,5-6,8-9,28H,4,7,10-11H2,1H3,(H,26,27,29);2-4,6-8,10,27H,5,9,11-12H2,1H3,(H,25,26,28);2-7,9,11,25H,8,10,12H2,1H3,(H,23,24,26)
InChIKeyHHEBONNCNVUWON-UHFFFAOYSA-N
MW1675.51 g/mol
LogP14.55
Rot. Bonds15

About 2-(3,4-difluorophenyl)-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

2-(3,4-difluorophenyl)-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 158477977) has the molecular formula C87H74F7IN12O8 and a molecular weight of 1675.51 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID158477977
Molecular FormulaC87H74F7IN12O8
Molecular Weight1675.51 g/mol
Exact Mass1674.47
IUPAC Name2-(3,4-difluorophenyl)-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCc1nc2c(nc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)CCc1cc(CO)ccc1-2.Cc1nc2c(nc1NC(=O)Cc1ccc(F)c(F)c1)CCc1cc(CO)ccc1-2.Cc1nc2c(nc1NC(=O)Cc1ccc(I)cc1)CCc1cc(CO)ccc1-2.Cc1nc2c(nc1NC(=O)c1ccccc1)CCc1cc(CO)ccc1-2
InChIInChI=1S/C22H16F5N3O2.C22H19F2N3O2.C22H20IN3O2.C21H19N3O2/c1-9-22(30-15(32)7-13-16(23)18(25)20(27)19(26)17(13)24)29-14-5-3-11-6-10(8-31)2-4-12(11)21(14)28-9;1-12-22(27-20(29)10-13-3-6-17(23)18(24)9-13)26-19-7-4-15-8-14(11-28)2-5-16(15)21(19)25-12;1-13-22(26-20(28)11-14-2-6-17(23)7-3-14)25-19-9-5-16-10-15(12-27)4-8-18(16)21(19)24-13;1-13-20(24-21(26)15-5-3-2-4-6-15)23-18-10-8-16-11-14(12-25)7-9-17(16)19(18)22-13/h2,4,6,31H,3,5,7-8H2,1H3,(H,29,30,32);2-3,5-6,8-9,28H,4,7,10-11H2,1H3,(H,26,27,29);2-4,6-8,10,27H,5,9,11-12H2,1H3,(H,25,26,28);2-7,9,11,25H,8,10,12H2,1H3,(H,23,24,26)
InChIKeyHHEBONNCNVUWON-UHFFFAOYSA-N
XLogP14.55
TPSA300.44 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001675.51
LogP ≤ 514.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(3,4-difluorophenyl)-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide with MolForge

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Related Compounds

N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 123368208
N-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide
CID 123953975
N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide
CID 136625045
N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide
CID 89009367
N-[2-(cyclopentylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 123742818
2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
CID 137030979
N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide
CID 70830271
N-[2-benzyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide
CID 123426172
N-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide
CID 70830070
ethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide
CID 143000993
2-(4-iodophenyl)-N-(8-methoxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
CID 70829987
N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide
CID 123895806

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 158477977) is 2-(3,4-difluorophenyl)-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is Cc1nc2c(nc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)CCc1cc(CO)ccc1-2.Cc1nc2c(nc1NC(=O)Cc1ccc(F)c(F)c1)CCc1cc(CO)ccc1-2.Cc1nc2c(nc1NC(=O)Cc1ccc(I)cc1)CCc1cc(CO)ccc1-2.Cc1nc2c(nc1NC(=O)c1ccccc1)CCc1cc(CO)ccc1-2.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is HHEBONNCNVUWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F5N3O2.C22H19F2N3O2.C22H20IN3O2.C21H19N3O2/c1-9-22(30-15(32)7-13-16(23)18(25)20(27)19(26)17(13)24)29-14-5-3-11-6-10(8-31)2-4-12(11)21(14)28-9;1-12-22(27-20(29)10-13-3-6-17(23)18(24)9-13)26-19-7-4-15-8-14(11-28)2-5-16(15)21(19)25-12;1-13-22(26-20(28)11-14-2-6-17(23)7-3-14)25-19-9-5-16-10-15(12-27)4-8-18(16)21(19)24-13;1-13-20(24-21(26)15-5-3-2-4-6-15)23-18-10-8-16-11-14(12-25)7-9-17(16)19(18)22-13/h2,4,6,31H,3,5,7-8H2,1H3,(H,29,30,32);2-3,5-6,8-9,28H,4,7,10-11H2,1H3,(H,26,27,29);2-4,6-8,10,27H,5,9,11-12H2,1H3,(H,25,26,28);2-7,9,11,25H,8,10,12H2,1H3,(H,23,24,26).
What are the key properties of 2-(3,4-difluorophenyl)-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
2-(3,4-difluorophenyl)-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 1675.51 g/mol, XLogP of 14.55, 15 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 158477977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).