2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;4-bromo-3-methylbenzaldehyde;(NE)-N-[(4-bromo-3-methylphenyl)methylidene]hydroxylamine;3-(4-bromo-3-methylphenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid

C109H112Br4ClF18N19O14 — CID 172973131

About 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;4-bromo-3-methylbenzaldehyde;(NE)-N-[(4-bromo-3-methylphenyl)methylidene]hydroxylamine;3-(4-bromo-3-methylphenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid

2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;4-bromo-3-methylbenzaldehyde;(NE)-N-[(4-bromo-3-methylphenyl)methylidene]hydroxylamine;3-(4-bromo-3-methylphenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid (PubChem CID 172973131) has the molecular formula C109H112Br4ClF18N19O14 and a molecular weight of 2609.25 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;4-bromo-3-methylbenzaldehyde;(NE)-N-[(4-bromo-3-methylphenyl)methylidene]hydroxylamine;3-(4-bromo-3-methylphenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid.

Molecular Properties

• Compound Name: 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;4-bromo-3-methylbenzaldehyde;(NE)-N-[(4-bromo-3-methylphenyl)methylidene]hydroxylamine;3-(4-bromo-3-methylphenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid
• PubChem CID: 172973131
• Molecular Formula: C109H112Br4ClF18N19O14
• Molecular Weight: 2609.25 g/mol
• Exact Mass: 2603.48
• IUPAC Name: 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;4-bromo-3-methylbenzaldehyde;(NE)-N-[(4-bromo-3-methylphenyl)methylidene]hydroxylamine;3-(4-bromo-3-methylphenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid
• SMILES: C=C(c1cc(C)nn1C)C(F)(F)F.COC(=O)c1ccc(C2=NOC(C)(c3cc(C(F)(F)F)nn3C)C2)cc1C.Cc1cc(/C(Cl)=N/O)ccc1Br.Cc1cc(/C=N/O)ccc1Br.Cc1cc(C2(C)CC(c3ccc(C(=O)CCC(=O)NCC(F)(F)F)c(C)c3)=NO2)n(C)n1.Cc1cc(C2=NOC(C)(c3cc(C(F)(F)F)nn3C)C2)ccc1Br.Cc1cc(C2=NOC(C)(c3cc(C(F)(F)F)nn3C)C2)ccc1C(=O)O.Cc1cc(C=O)ccc1Br.NCC(=O)NCC(F)(F)F
• InChI: InChI=1S/C22H25F3N4O3.C18H18F3N3O3.C17H16F3N3O3.C16H15BrF3N3O.C8H7BrClNO.C8H8BrNO.C8H7BrO.C8H9F3N2.C4H7F3N2O/c1-13-9-15(17-11-21(3,32-28-17)19-10-14(2)27-29(19)4)5-6-16(13)18(30)7-8-20(31)26-12-22(23,24)25;1-10-7-11(5-6-12(10)16(25)26-4)13-9-17(2,27-23-13)15-8-14(18(19,20)21)22-24(15)3;1-9-6-10(4-5-11(9)15(24)25)12-8-16(2,26-22-12)14-7-13(17(18,19)20)21-23(14)3;1-9-6-10(4-5-11(9)17)12-8-15(2,24-22-12)14-7-13(16(18,19)20)21-23(14)3;1-5-4-6(8(10)11-12)2-3-7(5)9;1-6-4-7(5-10-11)2-3-8(6)9;1-6-4-7(5-10)2-3-8(6)9;1-5-4-7(13(3)12-5)6(2)8(9,10)11;5-4(6,7)2-9-3(10)1-8/h5-6,9-10H,7-8,11-12H2,1-4H3,(H,26,31);5-8H,9H2,1-4H3;4-7H,8H2,1-3H3,(H,24,25);4-7H,8H2,1-3H3;2-4,12H,1H3;2-5,11H,1H3;2-5H,1H3;4H,2H2,1,3H3;1-2,8H2,(H,9,10)/b;;;;11-8-;10-5+
• InChIKey: OWWAAANVYFWIRP-YJSHKEJJSA-N
• XLogP: 25.52
• TPSA: 422.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2609.25
LogP ≤ 5	25.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;4-bromo-3-methylbenzaldehyde;(NE)-N-[(4-bromo-3-methylphenyl)methylidene]hydroxylamine;3-(4-bromo-3-methylphenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid?

The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;4-bromo-3-methylbenzaldehyde;(NE)-N-[(4-bromo-3-methylphenyl)methylidene]hydroxylamine;3-(4-bromo-3-methylphenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid (CID 172973131) is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;4-bromo-3-methylbenzaldehyde;(NE)-N-[(4-bromo-3-methylphenyl)methylidene]hydroxylamine;3-(4-bromo-3-methylphenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid.

What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;4-bromo-3-methylbenzaldehyde;(NE)-N-[(4-bromo-3-methylphenyl)methylidene]hydroxylamine;3-(4-bromo-3-methylphenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid?

The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;4-bromo-3-methylbenzaldehyde;(NE)-N-[(4-bromo-3-methylphenyl)methylidene]hydroxylamine;3-(4-bromo-3-methylphenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid is C=C(c1cc(C)nn1C)C(F)(F)F.COC(=O)c1ccc(C2=NOC(C)(c3cc(C(F)(F)F)nn3C)C2)cc1C.Cc1cc(/C(Cl)=N/O)ccc1Br.Cc1cc(/C=N/O)ccc1Br.Cc1cc(C2(C)CC(c3ccc(C(=O)CCC(=O)NCC(F)(F)F)c(C)c3)=NO2)n(C)n1.Cc1cc(C2=NOC(C)(c3cc(C(F)(F)F)nn3C)C2)ccc1Br.Cc1cc(C2=NOC(C)(c3cc(C(F)(F)F)nn3C)C2)ccc1C(=O)O.Cc1cc(C=O)ccc1Br.NCC(=O)NCC(F)(F)F.

What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;4-bromo-3-methylbenzaldehyde;(NE)-N-[(4-bromo-3-methylphenyl)methylidene]hydroxylamine;3-(4-bromo-3-methylphenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid?

The InChIKey is OWWAAANVYFWIRP-YJSHKEJJSA-N. The full InChI is InChI=1S/C22H25F3N4O3.C18H18F3N3O3.C17H16F3N3O3.C16H15BrF3N3O.C8H7BrClNO.C8H8BrNO.C8H7BrO.C8H9F3N2.C4H7F3N2O/c1-13-9-15(17-11-21(3,32-28-17)19-10-14(2)27-29(19)4)5-6-16(13)18(30)7-8-20(31)26-12-22(23,24)25;1-10-7-11(5-6-12(10)16(25)26-4)13-9-17(2,27-23-13)15-8-14(18(19,20)21)22-24(15)3;1-9-6-10(4-5-11(9)15(24)25)12-8-16(2,26-22-12)14-7-13(17(18,19)20)21-23(14)3;1-9-6-10(4-5-11(9)17)12-8-15(2,24-22-12)14-7-13(16(18,19)20)21-23(14)3;1-5-4-6(8(10)11-12)2-3-7(5)9;1-6-4-7(5-10-11)2-3-8(6)9;1-6-4-7(5-10)2-3-8(6)9;1-5-4-7(13(3)12-5)6(2)8(9,10)11;5-4(6,7)2-9-3(10)1-8/h5-6,9-10H,7-8,11-12H2,1-4H3,(H,26,31);5-8H,9H2,1-4H3;4-7H,8H2,1-3H3,(H,24,25);4-7H,8H2,1-3H3;2-4,12H,1H3;2-5,11H,1H3;2-5H,1H3;4H,2H2,1,3H3;1-2,8H2,(H,9,10)/b;;;;11-8-;10-5+;;;.

What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;4-bromo-3-methylbenzaldehyde;(NE)-N-[(4-bromo-3-methylphenyl)methylidene]hydroxylamine;3-(4-bromo-3-methylphenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid?

2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;4-bromo-3-methylbenzaldehyde;(NE)-N-[(4-bromo-3-methylphenyl)methylidene]hydroxylamine;3-(4-bromo-3-methylphenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid has a molecular weight of 2609.25 g/mol, XLogP of 25.52, 21 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-4-bromo-N-hydroxy-3-methylbenzenecarboximidoyl chloride;4-bromo-3-methylbenzaldehyde;(NE)-N-[(4-bromo-3-methylphenyl)methylidene]hydroxylamine;3-(4-bromo-3-methylphenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid is sourced from PubChem (CID 172973131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).