3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide

C120H82Cl3F21N16O14 — CID 162115930

About 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide

3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide (PubChem CID 162115930) has the molecular formula C120H82Cl3F21N16O14 and a molecular weight of 2477.39 g/mol. Its IUPAC name is 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide.

Molecular Properties

• Compound Name: 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide
• PubChem CID: 162115930
• Molecular Formula: C120H82Cl3F21N16O14
• Molecular Weight: 2477.39 g/mol
• Exact Mass: 2474.49
• IUPAC Name: 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide
• SMILES: CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-].CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccccc2C)cc1N.Cc1ccccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C(C)C)c(C#N)c1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1ccccc1F.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1ccncc1F
• InChI: InChI=1S/C22H19F3N4O.C20H10ClF4NO3.C20H11ClF3NO3.C20H19F3N4O.C19H10ClF3N2O3.C19H13F5N4O3/c1-13(2)29-19(11-20(28-29)22(23,24)25)17-9-8-15(10-16(17)12-26)21(30)27-18-7-5-4-6-14(18)3;21-13-9-17-16(28-20(24,25)29-17)8-12(13)10-4-6-11(7-5-10)26-19(27)18-14(22)2-1-3-15(18)23;21-15-10-18-17(27-20(23,24)28-18)9-14(15)11-5-7-12(8-6-11)25-19(26)13-3-1-2-4-16(13)22;1-3-27-17(11-18(26-27)20(21,22)23)14-9-8-13(10-15(14)24)19(28)25-16-7-5-4-6-12(16)2;20-14-8-17-16(27-19(22,23)28-17)7-13(14)10-1-3-11(4-2-10)25-18(26)12-5-6-24-9-15(12)21;1-2-27-14(9-16(26-27)19(22,23)24)11-7-6-10(8-15(11)28(30)31)18(29)25-17-12(20)4-3-5-13(17)21/h4-11,13H,1-3H3,(H,27,30);1-9H,(H,26,27);1-10H,(H,25,26);4-11H,3,24H2,1-2H3,(H,25,28);1-9H,(H,25,26);3-9H,2H2,1H3,(H,25,29)
• InChIKey: ZGTKJLKIVFDIAF-UHFFFAOYSA-N
• XLogP: 32.04
• TPSA: 389.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2477.39
LogP ≤ 5	32.04
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide?

The IUPAC name of 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide (CID 162115930) is 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide.

What is the SMILES notation for 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide?

The canonical SMILES for 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide is CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-].CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccccc2C)cc1N.Cc1ccccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C(C)C)c(C#N)c1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1ccccc1F.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1ccncc1F.

What is the InChIKey of 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide?

The InChIKey is ZGTKJLKIVFDIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O.C20H10ClF4NO3.C20H11ClF3NO3.C20H19F3N4O.C19H10ClF3N2O3.C19H13F5N4O3/c1-13(2)29-19(11-20(28-29)22(23,24)25)17-9-8-15(10-16(17)12-26)21(30)27-18-7-5-4-6-14(18)3;21-13-9-17-16(28-20(24,25)29-17)8-12(13)10-4-6-11(7-5-10)26-19(27)18-14(22)2-1-3-15(18)23;21-15-10-18-17(27-20(23,24)28-18)9-14(15)11-5-7-12(8-6-11)25-19(26)13-3-1-2-4-16(13)22;1-3-27-17(11-18(26-27)20(21,22)23)14-9-8-13(10-15(14)24)19(28)25-16-7-5-4-6-12(16)2;20-14-8-17-16(27-19(22,23)28-17)7-13(14)10-1-3-11(4-2-10)25-18(26)12-5-6-24-9-15(12)21;1-2-27-14(9-16(26-27)19(22,23)24)11-7-6-10(8-15(11)28(30)31)18(29)25-17-12(20)4-3-5-13(17)21/h4-11,13H,1-3H3,(H,27,30);1-9H,(H,26,27);1-10H,(H,25,26);4-11H,3,24H2,1-2H3,(H,25,28);1-9H,(H,25,26);3-9H,2H2,1H3,(H,25,29).

What are the key properties of 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide?

3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide has a molecular weight of 2477.39 g/mol, XLogP of 32.04, 22 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,6-difluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide is sourced from PubChem (CID 162115930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).