N-(2-acetyl-6-fluoro-4-methylphenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;2-amino-3-fluoro-5-iodobenzoic acid;2-amino-3-fluoro-5-iodo-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;3-fluoro-5-iodo-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide

C92H90ClF14I3N16O15 — CID 161457464

About N-(2-acetyl-6-fluoro-4-methylphenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;2-amino-3-fluoro-5-iodobenzoic acid;2-amino-3-fluoro-5-iodo-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;3-fluoro-5-iodo-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide

N-(2-acetyl-6-fluoro-4-methylphenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;2-amino-3-fluoro-5-iodobenzoic acid;2-amino-3-fluoro-5-iodo-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;3-fluoro-5-iodo-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 161457464) has the molecular formula C92H90ClF14I3N16O15 and a molecular weight of 2341.97 g/mol. Its IUPAC name is N-(2-acetyl-6-fluoro-4-methylphenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;2-amino-3-fluoro-5-iodobenzoic acid;2-amino-3-fluoro-5-iodo-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;3-fluoro-5-iodo-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

• Compound Name: N-(2-acetyl-6-fluoro-4-methylphenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;2-amino-3-fluoro-5-iodobenzoic acid;2-amino-3-fluoro-5-iodo-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;3-fluoro-5-iodo-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
• PubChem CID: 161457464
• Molecular Formula: C92H90ClF14I3N16O15
• Molecular Weight: 2341.97 g/mol
• Exact Mass: 2340.34
• IUPAC Name: N-(2-acetyl-6-fluoro-4-methylphenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;2-amino-3-fluoro-5-iodobenzoic acid;2-amino-3-fluoro-5-iodo-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;3-fluoro-5-iodo-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
• SMILES: CC(=O)c1cc(C)cc(F)c1N.CC(=O)c1cc(C)cc(F)c1NC(=O)C(F)(F)F.CON(C)C(=O)c1cc(I)cc(F)c1N.CON(C)C(=O)c1cc(I)cc(F)c1NC(=O)C(F)(F)F.Cc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1.Nc1c(F)cc(I)cc1C(=O)O.Nc1c(F)cccc1C(=O)O
• InChI: InChI=1S/C24H30FN5O2.C14H11ClFN3O.C11H9F4IN2O3.C11H9F4NO2.C9H10FIN2O2.C9H10FNO.C7H5FINO2.C7H6FNO2/c1-14-12-19-15(2)21(24-26-16(3)29-32-24)23(28-22(19)20(25)13-14)30-8-4-17(5-9-30)27-18-6-10-31-11-7-18;1-6-4-9-7(2)11(14-17-8(3)19-20-14)13(15)18-12(9)10(16)5-6;1-18(21-2)9(19)6-3-5(16)4-7(12)8(6)17-10(20)11(13,14)15;1-5-3-7(6(2)17)9(8(12)4-5)16-10(18)11(13,14)15;1-13(15-2)9(14)6-3-5(11)4-7(10)8(6)12;1-5-3-7(6(2)12)9(11)8(10)4-5;8-5-2-3(9)1-4(6(5)10)7(11)12;8-5-3-1-2-4(6(5)9)7(10)11/h12-13,17-18,27H,4-11H2,1-3H3;4-5H,1-3H3;3-4H,1-2H3,(H,17,20);3-4H,1-2H3,(H,16,18);3-4H,12H2,1-2H3;3-4H,11H2,1-2H3;1-2H,10H2,(H,11,12);1-3H,9H2,(H,10,11)
• InChIKey: WBIRJDPHQIFBPT-UHFFFAOYSA-N
• XLogP: 19.87
• TPSA: 458.22 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2341.97
LogP ≤ 5	19.87
H-Bond Donors ≤ 5	9
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-fluoro-4-methylphenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;2-amino-3-fluoro-5-iodobenzoic acid;2-amino-3-fluoro-5-iodo-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;3-fluoro-5-iodo-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?

The IUPAC name of N-(2-acetyl-6-fluoro-4-methylphenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;2-amino-3-fluoro-5-iodobenzoic acid;2-amino-3-fluoro-5-iodo-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;3-fluoro-5-iodo-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 161457464) is N-(2-acetyl-6-fluoro-4-methylphenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;2-amino-3-fluoro-5-iodobenzoic acid;2-amino-3-fluoro-5-iodo-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;3-fluoro-5-iodo-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide.

What is the SMILES notation for N-(2-acetyl-6-fluoro-4-methylphenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;2-amino-3-fluoro-5-iodobenzoic acid;2-amino-3-fluoro-5-iodo-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;3-fluoro-5-iodo-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?

The canonical SMILES for N-(2-acetyl-6-fluoro-4-methylphenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;2-amino-3-fluoro-5-iodobenzoic acid;2-amino-3-fluoro-5-iodo-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;3-fluoro-5-iodo-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide is CC(=O)c1cc(C)cc(F)c1N.CC(=O)c1cc(C)cc(F)c1NC(=O)C(F)(F)F.CON(C)C(=O)c1cc(I)cc(F)c1N.CON(C)C(=O)c1cc(I)cc(F)c1NC(=O)C(F)(F)F.Cc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1.Nc1c(F)cc(I)cc1C(=O)O.Nc1c(F)cccc1C(=O)O.

What is the InChIKey of N-(2-acetyl-6-fluoro-4-methylphenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;2-amino-3-fluoro-5-iodobenzoic acid;2-amino-3-fluoro-5-iodo-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;3-fluoro-5-iodo-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?

The InChIKey is WBIRJDPHQIFBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2.C14H11ClFN3O.C11H9F4IN2O3.C11H9F4NO2.C9H10FIN2O2.C9H10FNO.C7H5FINO2.C7H6FNO2/c1-14-12-19-15(2)21(24-26-16(3)29-32-24)23(28-22(19)20(25)13-14)30-8-4-17(5-9-30)27-18-6-10-31-11-7-18;1-6-4-9-7(2)11(14-17-8(3)19-20-14)13(15)18-12(9)10(16)5-6;1-18(21-2)9(19)6-3-5(16)4-7(12)8(6)17-10(20)11(13,14)15;1-5-3-7(6(2)17)9(8(12)4-5)16-10(18)11(13,14)15;1-13(15-2)9(14)6-3-5(11)4-7(10)8(6)12;1-5-3-7(6(2)12)9(11)8(10)4-5;8-5-2-3(9)1-4(6(5)10)7(11)12;8-5-3-1-2-4(6(5)9)7(10)11/h12-13,17-18,27H,4-11H2,1-3H3;4-5H,1-3H3;3-4H,1-2H3,(H,17,20);3-4H,1-2H3,(H,16,18);3-4H,12H2,1-2H3;3-4H,11H2,1-2H3;1-2H,10H2,(H,11,12);1-3H,9H2,(H,10,11).

What are the key properties of N-(2-acetyl-6-fluoro-4-methylphenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;2-amino-3-fluoro-5-iodobenzoic acid;2-amino-3-fluoro-5-iodo-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;3-fluoro-5-iodo-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?

N-(2-acetyl-6-fluoro-4-methylphenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;2-amino-3-fluoro-5-iodobenzoic acid;2-amino-3-fluoro-5-iodo-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;3-fluoro-5-iodo-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 2341.97 g/mol, XLogP of 19.87, 15 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetyl-6-fluoro-4-methylphenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;2-amino-3-fluoro-5-iodobenzoic acid;2-amino-3-fluoro-5-iodo-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;3-fluoro-5-iodo-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 161457464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).