N-[4-(3,4-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide

C36H29F8N3O5S — CID 157389076

About N-[4-(3,4-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide

N-[4-(3,4-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 157389076) has the molecular formula C36H29F8N3O5S and a molecular weight of 767.69 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-(3,4-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 157389076
• Molecular Formula: C36H29F8N3O5S
• Molecular Weight: 767.69 g/mol
• Exact Mass: 767.17
• IUPAC Name: N-[4-(3,4-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
• SMILES: CON(C)C(=O)Cc1cccc(C(F)(F)F)c1.COc1ccc(-c2nc(NC(=O)c3c(F)cccc3F)sc2-c2cccc(C(F)(F)F)c2)cc1OC
• InChI: InChI=1S/C25H17F5N2O3S.C11H12F3NO2/c1-34-18-10-9-13(12-19(18)35-2)21-22(14-5-3-6-15(11-14)25(28,29)30)36-24(31-21)32-23(33)20-16(26)7-4-8-17(20)27;1-15(17-2)10(16)7-8-4-3-5-9(6-8)11(12,13)14/h3-12H,1-2H3,(H,31,32,33);3-6H,7H2,1-2H3
• InChIKey: BLTYYNHOQFDDNH-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 89.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.69
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide (CID 157389076) is N-[4-(3,4-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide is CON(C)C(=O)Cc1cccc(C(F)(F)F)c1.COc1ccc(-c2nc(NC(=O)c3c(F)cccc3F)sc2-c2cccc(C(F)(F)F)c2)cc1OC.

What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?

The InChIKey is BLTYYNHOQFDDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F5N2O3S.C11H12F3NO2/c1-34-18-10-9-13(12-19(18)35-2)21-22(14-5-3-6-15(11-14)25(28,29)30)36-24(31-21)32-23(33)20-16(26)7-4-8-17(20)27;1-15(17-2)10(16)7-8-4-3-5-9(6-8)11(12,13)14/h3-12H,1-2H3,(H,31,32,33);3-6H,7H2,1-2H3.

What are the key properties of N-[4-(3,4-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?

N-[4-(3,4-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 767.69 g/mol, XLogP of 9.31, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,4-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 157389076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).