N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide

C86H77ClF14I3N15O15 — CID 164971523

About N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide

N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 164971523) has the molecular formula C86H77ClF14I3N15O15 and a molecular weight of 2242.79 g/mol. Its IUPAC name is N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

• Compound Name: N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
• PubChem CID: 164971523
• Molecular Formula: C86H77ClF14I3N15O15
• Molecular Weight: 2242.79 g/mol
• Exact Mass: 2241.23
• IUPAC Name: N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
• SMILES: CC(=O)c1cc(I)cc(F)c1N.CC(=O)c1cccc(F)c1N.CC(=O)c1cccc(F)c1NC(=O)C(F)(F)F.CON(C)C(=O)c1cccc(F)c1N.CON(C)C(=O)c1cccc(F)c1NC(=O)C(F)(F)F.Cc1noc(-c2c(Cl)nc3c(F)cc(I)cc3c2C)n1.Cc1noc(-c2c(N3CCC4(CC3)OCCO4)nc3c(F)cc(I)cc3c2C)n1.Nc1c(F)cccc1C(=O)O
• InChI: InChI=1S/C20H20FIN4O3.C13H8ClFIN3O.C11H10F4N2O3.C10H7F4NO2.C9H11FN2O2.C8H7FINO.C8H8FNO.C7H6FNO2/c1-11-14-9-13(22)10-15(21)17(14)24-18(16(11)19-23-12(2)25-29-19)26-5-3-20(4-6-26)27-7-8-28-20;1-5-8-3-7(16)4-9(15)11(8)18-12(14)10(5)13-17-6(2)19-20-13;1-17(20-2)9(18)6-4-3-5-7(12)8(6)16-10(19)11(13,14)15;1-5(16)6-3-2-4-7(11)8(6)15-9(17)10(12,13)14;1-12(14-2)9(13)6-4-3-5-7(10)8(6)11;1-4(12)6-2-5(10)3-7(9)8(6)11;1-5(11)6-3-2-4-7(9)8(6)10;8-5-3-1-2-4(6(5)9)7(10)11/h9-10H,3-8H2,1-2H3;3-4H,1-2H3;3-5H,1-2H3,(H,16,19);2-4H,1H3,(H,15,17);3-5H,11H2,1-2H3;2-3H,11H2,1H3;2-4H,10H2,1H3;1-3H,9H2,(H,10,11)
• InChIKey: DEMPRLIZQHPXIK-UHFFFAOYSA-N
• XLogP: 18.75
• TPSA: 435.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2242.79
LogP ≤ 5	18.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?

The IUPAC name of N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 164971523) is N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide.

What is the SMILES notation for N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?

The canonical SMILES for N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide is CC(=O)c1cc(I)cc(F)c1N.CC(=O)c1cccc(F)c1N.CC(=O)c1cccc(F)c1NC(=O)C(F)(F)F.CON(C)C(=O)c1cccc(F)c1N.CON(C)C(=O)c1cccc(F)c1NC(=O)C(F)(F)F.Cc1noc(-c2c(Cl)nc3c(F)cc(I)cc3c2C)n1.Cc1noc(-c2c(N3CCC4(CC3)OCCO4)nc3c(F)cc(I)cc3c2C)n1.Nc1c(F)cccc1C(=O)O.

What is the InChIKey of N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?

The InChIKey is DEMPRLIZQHPXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FIN4O3.C13H8ClFIN3O.C11H10F4N2O3.C10H7F4NO2.C9H11FN2O2.C8H7FINO.C8H8FNO.C7H6FNO2/c1-11-14-9-13(22)10-15(21)17(14)24-18(16(11)19-23-12(2)25-29-19)26-5-3-20(4-6-26)27-7-8-28-20;1-5-8-3-7(16)4-9(15)11(8)18-12(14)10(5)13-17-6(2)19-20-13;1-17(20-2)9(18)6-4-3-5-7(12)8(6)16-10(19)11(13,14)15;1-5(16)6-3-2-4-7(11)8(6)15-9(17)10(12,13)14;1-12(14-2)9(13)6-4-3-5-7(10)8(6)11;1-4(12)6-2-5(10)3-7(9)8(6)11;1-5(11)6-3-2-4-7(9)8(6)10;8-5-3-1-2-4(6(5)9)7(10)11/h9-10H,3-8H2,1-2H3;3-4H,1-2H3;3-5H,1-2H3,(H,16,19);2-4H,1H3,(H,15,17);3-5H,11H2,1-2H3;2-3H,11H2,1H3;2-4H,10H2,1H3;1-3H,9H2,(H,10,11).

What are the key properties of N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?

N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 2242.79 g/mol, XLogP of 18.75, 13 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 164971523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).