1,3-difluoro-2-nitrobenzene;1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide;1,3-dihydroindol-2-one;ethane;6-(3-fluoro-2-nitrophenoxy)-1,3-dihydroindol-2-one;6-hydroxy-1,3-dihydroindol-2-one

C65H50F6N8O13 — CID 158195427

IUPAC1,3-difluoro-2-nitrobenzene;1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide;1,3-dihydroindol-2-one;ethane;6-(3-fluoro-2-nitrophenoxy)-1,3-dihydroindol-2-one;6-hydroxy-1,3-dihydroindol-2-one
SMILESCC.O=C1Cc2ccc(O)cc2N1.O=C1Cc2ccc(Oc3cccc(F)c3NC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc2N1.O=C1Cc2ccc(Oc3cccc(F)c3[N+](=O)[O-])cc2N1.O=C1Cc2ccccc2N1.O=[N+]([O-])c1c(F)cccc1F
InChIInChI=1S/C27H18F3N3O4.C14H9FN2O4.C8H7NO2.C8H7NO.C6H3F2NO2.C2H6/c28-19-9-6-15(11-21(19)30)14-33-10-2-3-18(27(33)36)26(35)32-25-20(29)4-1-5-23(25)37-17-8-7-16-12-24(34)31-22(16)13-17;15-10-2-1-3-12(14(10)17(19)20)21-9-5-4-8-6-13(18)16-11(8)7-9;10-6-2-1-5-3-8(11)9-7(5)4-6;10-8-5-6-3-1-2-4-7(6)9-8;7-4-2-1-3-5(8)6(4)9(10)11;1-2/h1-11,13H,12,14H2,(H,31,34)(H,32,35);1-5,7H,6H2,(H,16,18);1-2,4,10H,3H2,(H,9,11);1-4H,5H2,(H,9,10);1-3H;1-2H3
InChIKeyGAGZXJLJPXNWJA-UHFFFAOYSA-N
MW1265.15 g/mol
LogP12.84
Rot. Bonds10

About 1,3-difluoro-2-nitrobenzene;1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide;1,3-dihydroindol-2-one;ethane;6-(3-fluoro-2-nitrophenoxy)-1,3-dihydroindol-2-one;6-hydroxy-1,3-dihydroindol-2-one

1,3-difluoro-2-nitrobenzene;1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide;1,3-dihydroindol-2-one;ethane;6-(3-fluoro-2-nitrophenoxy)-1,3-dihydroindol-2-one;6-hydroxy-1,3-dihydroindol-2-one (PubChem CID 158195427) has the molecular formula C65H50F6N8O13 and a molecular weight of 1265.15 g/mol. Its IUPAC name is 1,3-difluoro-2-nitrobenzene;1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide;1,3-dihydroindol-2-one;ethane;6-(3-fluoro-2-nitrophenoxy)-1,3-dihydroindol-2-one;6-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name1,3-difluoro-2-nitrobenzene;1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide;1,3-dihydroindol-2-one;ethane;6-(3-fluoro-2-nitrophenoxy)-1,3-dihydroindol-2-one;6-hydroxy-1,3-dihydroindol-2-one
PubChem CID158195427
Molecular FormulaC65H50F6N8O13
Molecular Weight1265.15 g/mol
Exact Mass1264.34
IUPAC Name1,3-difluoro-2-nitrobenzene;1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide;1,3-dihydroindol-2-one;ethane;6-(3-fluoro-2-nitrophenoxy)-1,3-dihydroindol-2-one;6-hydroxy-1,3-dihydroindol-2-one
SMILESCC.O=C1Cc2ccc(O)cc2N1.O=C1Cc2ccc(Oc3cccc(F)c3NC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc2N1.O=C1Cc2ccc(Oc3cccc(F)c3[N+](=O)[O-])cc2N1.O=C1Cc2ccccc2N1.O=[N+]([O-])c1c(F)cccc1F
InChIInChI=1S/C27H18F3N3O4.C14H9FN2O4.C8H7NO2.C8H7NO.C6H3F2NO2.C2H6/c28-19-9-6-15(11-21(19)30)14-33-10-2-3-18(27(33)36)26(35)32-25-20(29)4-1-5-23(25)37-17-8-7-16-12-24(34)31-22(16)13-17;15-10-2-1-3-12(14(10)17(19)20)21-9-5-4-8-6-13(18)16-11(8)7-9;10-6-2-1-5-3-8(11)9-7(5)4-6;10-8-5-6-3-1-2-4-7(6)9-8;7-4-2-1-3-5(8)6(4)9(10)11;1-2/h1-11,13H,12,14H2,(H,31,34)(H,32,35);1-5,7H,6H2,(H,16,18);1-2,4,10H,3H2,(H,9,11);1-4H,5H2,(H,9,10);1-3H;1-2H3
InChIKeyGAGZXJLJPXNWJA-UHFFFAOYSA-N
XLogP12.84
TPSA292.47 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001265.15
LogP ≤ 512.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[2-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]pyridine-3-carboxamide
CID 147069175
ethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one
CID 159651260
N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599222
1-[(3,4-difluorophenyl)methyl]-N-[2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 145414579
N-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382898
1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599112
1-[(4-fluorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7597772
4-[(3,4-difluorophenyl)methyl]-3-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]pyrazine-2-carboxamide
CID 58443048
1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7597717
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7597691
N-(3-methylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599175
1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598295

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-nitrobenzene;1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide;1,3-dihydroindol-2-one;ethane;6-(3-fluoro-2-nitrophenoxy)-1,3-dihydroindol-2-one;6-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 1,3-difluoro-2-nitrobenzene;1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide;1,3-dihydroindol-2-one;ethane;6-(3-fluoro-2-nitrophenoxy)-1,3-dihydroindol-2-one;6-hydroxy-1,3-dihydroindol-2-one (CID 158195427) is 1,3-difluoro-2-nitrobenzene;1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide;1,3-dihydroindol-2-one;ethane;6-(3-fluoro-2-nitrophenoxy)-1,3-dihydroindol-2-one;6-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 1,3-difluoro-2-nitrobenzene;1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide;1,3-dihydroindol-2-one;ethane;6-(3-fluoro-2-nitrophenoxy)-1,3-dihydroindol-2-one;6-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 1,3-difluoro-2-nitrobenzene;1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide;1,3-dihydroindol-2-one;ethane;6-(3-fluoro-2-nitrophenoxy)-1,3-dihydroindol-2-one;6-hydroxy-1,3-dihydroindol-2-one is CC.O=C1Cc2ccc(O)cc2N1.O=C1Cc2ccc(Oc3cccc(F)c3NC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc2N1.O=C1Cc2ccc(Oc3cccc(F)c3[N+](=O)[O-])cc2N1.O=C1Cc2ccccc2N1.O=[N+]([O-])c1c(F)cccc1F.
What is the InChIKey of 1,3-difluoro-2-nitrobenzene;1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide;1,3-dihydroindol-2-one;ethane;6-(3-fluoro-2-nitrophenoxy)-1,3-dihydroindol-2-one;6-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is GAGZXJLJPXNWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N3O4.C14H9FN2O4.C8H7NO2.C8H7NO.C6H3F2NO2.C2H6/c28-19-9-6-15(11-21(19)30)14-33-10-2-3-18(27(33)36)26(35)32-25-20(29)4-1-5-23(25)37-17-8-7-16-12-24(34)31-22(16)13-17;15-10-2-1-3-12(14(10)17(19)20)21-9-5-4-8-6-13(18)16-11(8)7-9;10-6-2-1-5-3-8(11)9-7(5)4-6;10-8-5-6-3-1-2-4-7(6)9-8;7-4-2-1-3-5(8)6(4)9(10)11;1-2/h1-11,13H,12,14H2,(H,31,34)(H,32,35);1-5,7H,6H2,(H,16,18);1-2,4,10H,3H2,(H,9,11);1-4H,5H2,(H,9,10);1-3H;1-2H3.
What are the key properties of 1,3-difluoro-2-nitrobenzene;1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide;1,3-dihydroindol-2-one;ethane;6-(3-fluoro-2-nitrophenoxy)-1,3-dihydroindol-2-one;6-hydroxy-1,3-dihydroindol-2-one?
1,3-difluoro-2-nitrobenzene;1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide;1,3-dihydroindol-2-one;ethane;6-(3-fluoro-2-nitrophenoxy)-1,3-dihydroindol-2-one;6-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 1265.15 g/mol, XLogP of 12.84, 10 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-nitrobenzene;1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide;1,3-dihydroindol-2-one;ethane;6-(3-fluoro-2-nitrophenoxy)-1,3-dihydroindol-2-one;6-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 158195427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).