N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;5-bromo-N-(3-bromo-5-methylphenyl)-2-hydroxybenzamide;5-bromo-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;N-(3-bromo-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide;N-(3-chloro-5-methylphenyl)-2-hydroxy-5-iodobenzamide;3,5-dichloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;N-(3,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide;N-(3-fluoro-5-methylphenyl)-2-hydroxy-5-iodobenzamide

C116H90Br5Cl4F10I3N8O16 — CID 167701625

About N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;5-bromo-N-(3-bromo-5-methylphenyl)-2-hydroxybenzamide;5-bromo-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;N-(3-bromo-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide;N-(3-chloro-5-methylphenyl)-2-hydroxy-5-iodobenzamide;3,5-dichloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;N-(3,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide;N-(3-fluoro-5-methylphenyl)-2-hydroxy-5-iodobenzamide

N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;5-bromo-N-(3-bromo-5-methylphenyl)-2-hydroxybenzamide;5-bromo-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;N-(3-bromo-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide;N-(3-chloro-5-methylphenyl)-2-hydroxy-5-iodobenzamide;3,5-dichloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;N-(3,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide;N-(3-fluoro-5-methylphenyl)-2-hydroxy-5-iodobenzamide (PubChem CID 167701625) has the molecular formula C116H90Br5Cl4F10I3N8O16 and a molecular weight of 2964.06 g/mol. Its IUPAC name is N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;5-bromo-N-(3-bromo-5-methylphenyl)-2-hydroxybenzamide;5-bromo-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;N-(3-bromo-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide;N-(3-chloro-5-methylphenyl)-2-hydroxy-5-iodobenzamide;3,5-dichloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;N-(3,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide;N-(3-fluoro-5-methylphenyl)-2-hydroxy-5-iodobenzamide.

Molecular Properties

• Compound Name: N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;5-bromo-N-(3-bromo-5-methylphenyl)-2-hydroxybenzamide;5-bromo-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;N-(3-bromo-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide;N-(3-chloro-5-methylphenyl)-2-hydroxy-5-iodobenzamide;3,5-dichloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;N-(3,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide;N-(3-fluoro-5-methylphenyl)-2-hydroxy-5-iodobenzamide
• PubChem CID: 167701625
• Molecular Formula: C116H90Br5Cl4F10I3N8O16
• Molecular Weight: 2964.06 g/mol
• Exact Mass: 2955.81
• IUPAC Name: N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;5-bromo-N-(3-bromo-5-methylphenyl)-2-hydroxybenzamide;5-bromo-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;N-(3-bromo-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide;N-(3-chloro-5-methylphenyl)-2-hydroxy-5-iodobenzamide;3,5-dichloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;N-(3,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide;N-(3-fluoro-5-methylphenyl)-2-hydroxy-5-iodobenzamide
• SMILES: Cc1cc(Br)cc(NC(=O)c2cc(Br)ccc2O)c1.Cc1cc(Br)cc(NC(=O)c2ccc(C(F)(F)F)cc2O)c1.Cc1cc(C)cc(NC(=O)c2cc(Br)ccc2O)c1.Cc1cc(C)cc(NC(=O)c2cc(I)ccc2O)c1.Cc1cc(Cl)cc(NC(=O)c2cc(Cl)cc(Cl)c2O)c1.Cc1cc(Cl)cc(NC(=O)c2cc(I)ccc2O)c1.Cc1cc(F)cc(NC(=O)c2cc(I)ccc2O)c1.O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1cc(Br)ccc1O
• InChI: InChI=1S/C15H8BrF6NO2.C15H11BrF3NO2.C15H14BrNO2.C15H14INO2.C14H11Br2NO2.C14H10Cl3NO2.C14H11ClINO2.C14H11FINO2/c16-8-2-4-12(24)9(6-8)13(25)23-11-5-7(14(17,18)19)1-3-10(11)15(20,21)22;1-8-4-10(16)7-11(5-8)20-14(22)12-3-2-9(6-13(12)21)15(17,18)19;2*1-9-5-10(2)7-12(6-9)17-15(19)13-8-11(16)3-4-14(13)18;1-8-4-10(16)6-11(5-8)17-14(19)12-7-9(15)2-3-13(12)18;1-7-2-8(15)4-10(3-7)18-14(20)11-5-9(16)6-12(17)13(11)19;2*1-8-4-9(15)6-11(5-8)17-14(19)12-7-10(16)2-3-13(12)18/h1-6,24H,(H,23,25);2-7,21H,1H3,(H,20,22);2*3-8,18H,1-2H3,(H,17,19);2-7,18H,1H3,(H,17,19);2-6,19H,1H3,(H,18,20);2*2-7,18H,1H3,(H,17,19)
• InChIKey: YLZXMGRCMJPYNB-UHFFFAOYSA-N
• XLogP: 35.37
• TPSA: 394.64 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2964.06
LogP ≤ 5	35.37
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;5-bromo-N-(3-bromo-5-methylphenyl)-2-hydroxybenzamide;5-bromo-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;N-(3-bromo-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide;N-(3-chloro-5-methylphenyl)-2-hydroxy-5-iodobenzamide;3,5-dichloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;N-(3,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide;N-(3-fluoro-5-methylphenyl)-2-hydroxy-5-iodobenzamide?

The IUPAC name of N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;5-bromo-N-(3-bromo-5-methylphenyl)-2-hydroxybenzamide;5-bromo-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;N-(3-bromo-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide;N-(3-chloro-5-methylphenyl)-2-hydroxy-5-iodobenzamide;3,5-dichloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;N-(3,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide;N-(3-fluoro-5-methylphenyl)-2-hydroxy-5-iodobenzamide (CID 167701625) is N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;5-bromo-N-(3-bromo-5-methylphenyl)-2-hydroxybenzamide;5-bromo-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;N-(3-bromo-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide;N-(3-chloro-5-methylphenyl)-2-hydroxy-5-iodobenzamide;3,5-dichloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;N-(3,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide;N-(3-fluoro-5-methylphenyl)-2-hydroxy-5-iodobenzamide.

What is the SMILES notation for N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;5-bromo-N-(3-bromo-5-methylphenyl)-2-hydroxybenzamide;5-bromo-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;N-(3-bromo-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide;N-(3-chloro-5-methylphenyl)-2-hydroxy-5-iodobenzamide;3,5-dichloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;N-(3,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide;N-(3-fluoro-5-methylphenyl)-2-hydroxy-5-iodobenzamide?

The canonical SMILES for N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;5-bromo-N-(3-bromo-5-methylphenyl)-2-hydroxybenzamide;5-bromo-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;N-(3-bromo-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide;N-(3-chloro-5-methylphenyl)-2-hydroxy-5-iodobenzamide;3,5-dichloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;N-(3,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide;N-(3-fluoro-5-methylphenyl)-2-hydroxy-5-iodobenzamide is Cc1cc(Br)cc(NC(=O)c2cc(Br)ccc2O)c1.Cc1cc(Br)cc(NC(=O)c2ccc(C(F)(F)F)cc2O)c1.Cc1cc(C)cc(NC(=O)c2cc(Br)ccc2O)c1.Cc1cc(C)cc(NC(=O)c2cc(I)ccc2O)c1.Cc1cc(Cl)cc(NC(=O)c2cc(Cl)cc(Cl)c2O)c1.Cc1cc(Cl)cc(NC(=O)c2cc(I)ccc2O)c1.Cc1cc(F)cc(NC(=O)c2cc(I)ccc2O)c1.O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1cc(Br)ccc1O.

What is the InChIKey of N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;5-bromo-N-(3-bromo-5-methylphenyl)-2-hydroxybenzamide;5-bromo-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;N-(3-bromo-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide;N-(3-chloro-5-methylphenyl)-2-hydroxy-5-iodobenzamide;3,5-dichloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;N-(3,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide;N-(3-fluoro-5-methylphenyl)-2-hydroxy-5-iodobenzamide?

The InChIKey is YLZXMGRCMJPYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF6NO2.C15H11BrF3NO2.C15H14BrNO2.C15H14INO2.C14H11Br2NO2.C14H10Cl3NO2.C14H11ClINO2.C14H11FINO2/c16-8-2-4-12(24)9(6-8)13(25)23-11-5-7(14(17,18)19)1-3-10(11)15(20,21)22;1-8-4-10(16)7-11(5-8)20-14(22)12-3-2-9(6-13(12)21)15(17,18)19;2*1-9-5-10(2)7-12(6-9)17-15(19)13-8-11(16)3-4-14(13)18;1-8-4-10(16)6-11(5-8)17-14(19)12-7-9(15)2-3-13(12)18;1-7-2-8(15)4-10(3-7)18-14(20)11-5-9(16)6-12(17)13(11)19;2*1-8-4-9(15)6-11(5-8)17-14(19)12-7-10(16)2-3-13(12)18/h1-6,24H,(H,23,25);2-7,21H,1H3,(H,20,22);2*3-8,18H,1-2H3,(H,17,19);2-7,18H,1H3,(H,17,19);2-6,19H,1H3,(H,18,20);2*2-7,18H,1H3,(H,17,19).

What are the key properties of N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;5-bromo-N-(3-bromo-5-methylphenyl)-2-hydroxybenzamide;5-bromo-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;N-(3-bromo-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide;N-(3-chloro-5-methylphenyl)-2-hydroxy-5-iodobenzamide;3,5-dichloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;N-(3,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide;N-(3-fluoro-5-methylphenyl)-2-hydroxy-5-iodobenzamide?

N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;5-bromo-N-(3-bromo-5-methylphenyl)-2-hydroxybenzamide;5-bromo-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;N-(3-bromo-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide;N-(3-chloro-5-methylphenyl)-2-hydroxy-5-iodobenzamide;3,5-dichloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;N-(3,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide;N-(3-fluoro-5-methylphenyl)-2-hydroxy-5-iodobenzamide has a molecular weight of 2964.06 g/mol, XLogP of 35.37, 16 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;5-bromo-N-(3-bromo-5-methylphenyl)-2-hydroxybenzamide;5-bromo-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;N-(3-bromo-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide;N-(3-chloro-5-methylphenyl)-2-hydroxy-5-iodobenzamide;3,5-dichloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;N-(3,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide;N-(3-fluoro-5-methylphenyl)-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 167701625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).