N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;(2S)-N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

C100H82F8N16O8S — CID 159091797

About N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;(2S)-N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;(2S)-N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 159091797) has the molecular formula C100H82F8N16O8S and a molecular weight of 1819.91 g/mol. Its IUPAC name is N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;(2S)-N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;(2S)-N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
• PubChem CID: 159091797
• Molecular Formula: C100H82F8N16O8S
• Molecular Weight: 1819.91 g/mol
• Exact Mass: 1818.61
• IUPAC Name: N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;(2S)-N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
• SMILES: CC(=O)Nc1cc(F)c([N+](=O)[O-])cc1C.CC(=O)Nc1cc(F)ccc1C.CC(=O)Nc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.Cn1nc(/C=C/c2cccc(F)c2)c2cc(N)c(F)cc21.O=C(Cc1cccs1)Nc1cc2c(/C=C/c3ccc4ccccc4c3)n[nH]c2cc1F.O=C1CC[C@@H](C(=O)Nc2cc3c(/C=C/c4ccc5ccccc5c4)n[nH]c3cc2F)N1
• InChI: InChI=1S/C25H18FN3OS.C24H19FN4O2.C17H13F2N3O.C16H13F2N3.C9H9FN2O3.C9H10FNO/c26-21-15-23-20(14-24(21)27-25(30)13-19-6-3-11-31-19)22(28-29-23)10-8-16-7-9-17-4-1-2-5-18(17)12-16;25-18-13-21-17(12-22(18)27-24(31)20-9-10-23(30)26-20)19(28-29-21)8-6-14-5-7-15-3-1-2-4-16(15)11-14;1-10(23)20-17-8-13-15(21-22-16(13)9-14(17)19)6-5-11-3-2-4-12(18)7-11;1-21-16-9-13(18)14(19)8-12(16)15(20-21)6-5-10-3-2-4-11(17)7-10;1-5-3-9(12(14)15)7(10)4-8(5)11-6(2)13;1-6-3-4-8(10)5-9(6)11-7(2)12/h1-12,14-15H,13H2,(H,27,30)(H,28,29);1-8,11-13,20H,9-10H2,(H,26,30)(H,27,31)(H,28,29);2-9H,1H3,(H,20,23)(H,21,22);2-9H,19H2,1H3;3-4H,1-2H3,(H,11,13);3-5H,1-2H3,(H,11,12)/b10-8+;8-6+;2*6-5+;;/t;20-;;;;/m.0..../s1
• InChIKey: KCDTYGVTLYJWNI-IIQGTSPDSA-N
• XLogP: 22.18
• TPSA: 347.62 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1819.91
LogP ≤ 5	22.18
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;(2S)-N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?

The IUPAC name of N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;(2S)-N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (CID 159091797) is N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;(2S)-N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;(2S)-N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;(2S)-N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is CC(=O)Nc1cc(F)c([N+](=O)[O-])cc1C.CC(=O)Nc1cc(F)ccc1C.CC(=O)Nc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.Cn1nc(/C=C/c2cccc(F)c2)c2cc(N)c(F)cc21.O=C(Cc1cccs1)Nc1cc2c(/C=C/c3ccc4ccccc4c3)n[nH]c2cc1F.O=C1CC[C@@H](C(=O)Nc2cc3c(/C=C/c4ccc5ccccc5c4)n[nH]c3cc2F)N1.

What is the InChIKey of N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;(2S)-N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?

The InChIKey is KCDTYGVTLYJWNI-IIQGTSPDSA-N. The full InChI is InChI=1S/C25H18FN3OS.C24H19FN4O2.C17H13F2N3O.C16H13F2N3.C9H9FN2O3.C9H10FNO/c26-21-15-23-20(14-24(21)27-25(30)13-19-6-3-11-31-19)22(28-29-23)10-8-16-7-9-17-4-1-2-5-18(17)12-16;25-18-13-21-17(12-22(18)27-24(31)20-9-10-23(30)26-20)19(28-29-21)8-6-14-5-7-15-3-1-2-4-16(15)11-14;1-10(23)20-17-8-13-15(21-22-16(13)9-14(17)19)6-5-11-3-2-4-12(18)7-11;1-21-16-9-13(18)14(19)8-12(16)15(20-21)6-5-10-3-2-4-11(17)7-10;1-5-3-9(12(14)15)7(10)4-8(5)11-6(2)13;1-6-3-4-8(10)5-9(6)11-7(2)12/h1-12,14-15H,13H2,(H,27,30)(H,28,29);1-8,11-13,20H,9-10H2,(H,26,30)(H,27,31)(H,28,29);2-9H,1H3,(H,20,23)(H,21,22);2-9H,19H2,1H3;3-4H,1-2H3,(H,11,13);3-5H,1-2H3,(H,11,12)/b10-8+;8-6+;2*6-5+;;/t;20-;;;;/m.0..../s1.

What are the key properties of N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;(2S)-N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?

N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;(2S)-N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 1819.91 g/mol, XLogP of 22.18, 17 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;(2S)-N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 159091797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).