N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,3-difluoro-4-methylphenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

C101H79F25N18O11 — CID 158038423

About N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,3-difluoro-4-methylphenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,3-difluoro-4-methylphenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 158038423) has the molecular formula C101H79F25N18O11 and a molecular weight of 2195.81 g/mol. Its IUPAC name is N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,3-difluoro-4-methylphenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

• Compound Name: N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,3-difluoro-4-methylphenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
• PubChem CID: 158038423
• Molecular Formula: C101H79F25N18O11
• Molecular Weight: 2195.81 g/mol
• Exact Mass: 2194.58
• IUPAC Name: N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,3-difluoro-4-methylphenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
• SMILES: CC(C)n1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-].CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccc(C)c(F)c2F)cc1[N+](=O)[O-].Cc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C(C)C)c([N+](=O)[O-])c2)c(F)c1F.Cc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)c(F)c1F.Cc1ccccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C(C)C)c(F)c1
• InChI: InChI=1S/C21H17F5N4O3.C21H19F4N3O.2C20H15F5N4O3.C19H13F6N3O/c1-10(2)29-15(9-17(28-29)21(24,25)26)13-6-5-12(8-16(13)30(32)33)20(31)27-14-7-4-11(3)18(22)19(14)23;1-12(2)28-18(11-19(27-28)21(23,24)25)15-9-8-14(10-16(15)22)20(29)26-17-7-5-4-6-13(17)3;1-10(2)28-15(9-17(27-28)20(23,24)25)12-7-6-11(8-16(12)29(31)32)19(30)26-18-13(21)4-3-5-14(18)22;1-3-28-14(9-16(27-28)20(23,24)25)12-6-5-11(8-15(12)29(31)32)19(30)26-13-7-4-10(2)17(21)18(13)22;1-9-3-6-13(17(22)16(9)21)26-18(29)10-4-5-11(12(20)7-10)14-8-15(19(23,24)25)27-28(14)2/h4-10H,1-3H3,(H,27,31);4-12H,1-3H3,(H,26,29);3-10H,1-2H3,(H,26,30);4-9H,3H2,1-2H3,(H,26,30);3-8H,1-2H3,(H,26,29)
• InChIKey: FIAZMRODYSZHQP-UHFFFAOYSA-N
• XLogP: 27.75
• TPSA: 364.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2195.81
LogP ≤ 5	27.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,3-difluoro-4-methylphenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?

The IUPAC name of N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,3-difluoro-4-methylphenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 158038423) is N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,3-difluoro-4-methylphenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

What is the SMILES notation for N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,3-difluoro-4-methylphenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?

The canonical SMILES for N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,3-difluoro-4-methylphenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is CC(C)n1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-].CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccc(C)c(F)c2F)cc1[N+](=O)[O-].Cc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C(C)C)c([N+](=O)[O-])c2)c(F)c1F.Cc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)c(F)c1F.Cc1ccccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C(C)C)c(F)c1.

What is the InChIKey of N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,3-difluoro-4-methylphenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?

The InChIKey is FIAZMRODYSZHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F5N4O3.C21H19F4N3O.2C20H15F5N4O3.C19H13F6N3O/c1-10(2)29-15(9-17(28-29)21(24,25)26)13-6-5-12(8-16(13)30(32)33)20(31)27-14-7-4-11(3)18(22)19(14)23;1-12(2)28-18(11-19(27-28)21(23,24)25)15-9-8-14(10-16(15)22)20(29)26-17-7-5-4-6-13(17)3;1-10(2)28-15(9-17(27-28)20(23,24)25)12-7-6-11(8-16(12)29(31)32)19(30)26-18-13(21)4-3-5-14(18)22;1-3-28-14(9-16(27-28)20(23,24)25)12-6-5-11(8-15(12)29(31)32)19(30)26-13-7-4-10(2)17(21)18(13)22;1-9-3-6-13(17(22)16(9)21)26-18(29)10-4-5-11(12(20)7-10)14-8-15(19(23,24)25)27-28(14)2/h4-10H,1-3H3,(H,27,31);4-12H,1-3H3,(H,26,29);3-10H,1-2H3,(H,26,30);4-9H,3H2,1-2H3,(H,26,30);3-8H,1-2H3,(H,26,29).

What are the key properties of N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,3-difluoro-4-methylphenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?

N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,3-difluoro-4-methylphenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 2195.81 g/mol, XLogP of 27.75, 22 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,3-difluoro-4-methylphenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 158038423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).