N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-chlorobenzamide;4-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(3,5-difluoro-4-pyridinyl)-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide

C115H91Cl2F19N22O8 — CID 159029714

About N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-chlorobenzamide;4-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(3,5-difluoro-4-pyridinyl)-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide

N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-chlorobenzamide;4-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(3,5-difluoro-4-pyridinyl)-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide (PubChem CID 159029714) has the molecular formula C115H91Cl2F19N22O8 and a molecular weight of 2341.01 g/mol. Its IUPAC name is N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-chlorobenzamide;4-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(3,5-difluoro-4-pyridinyl)-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide.

Molecular Properties

• Compound Name: N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-chlorobenzamide;4-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(3,5-difluoro-4-pyridinyl)-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide
• PubChem CID: 159029714
• Molecular Formula: C115H91Cl2F19N22O8
• Molecular Weight: 2341.01 g/mol
• Exact Mass: 2338.65
• IUPAC Name: N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-chlorobenzamide;4-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(3,5-difluoro-4-pyridinyl)-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide
• SMILES: CCc1cc(-c2ccc(C(=O)Nc3c(F)cccc3F)cc2F)n(CC)n1.CCc1cc(-c2ccc(C(=O)Nc3c(F)cncc3F)cc2F)n(CC)n1.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccccc2C)cc1F.Cc1cc2nccn2cc1-c1ccc(NC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-].Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cncc2F)cc1F.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2)cc1N
• InChI: InChI=1S/C21H15ClN4O3.C20H17F4N3O.C20H18F3N3O.C19H17F3N4O.C18H14ClF3N4O.C17H10F6N4O/c1-13-10-20-23-8-9-25(20)12-18(13)17-7-6-16(11-19(17)26(28)29)24-21(27)14-2-4-15(22)5-3-14;1-3-27-17(11-18(26-27)20(22,23)24)14-9-8-13(10-15(14)21)19(28)25-16-7-5-4-6-12(16)2;1-3-13-11-18(26(4-2)25-13)14-9-8-12(10-17(14)23)20(27)24-19-15(21)6-5-7-16(19)22;1-3-12-8-17(26(4-2)25-12)13-6-5-11(7-14(13)20)19(27)24-18-15(21)9-23-10-16(18)22;1-26-15(9-16(25-26)18(20,21)22)13-7-6-12(8-14(13)23)24-17(27)10-2-4-11(19)5-3-10;1-27-13(5-14(26-27)17(21,22)23)9-3-2-8(4-10(9)18)16(28)25-15-11(19)6-24-7-12(15)20/h2-12H,1H3,(H,24,27);4-11H,3H2,1-2H3,(H,25,28);5-11H,3-4H2,1-2H3,(H,24,27);5-10H,3-4H2,1-2H3,(H,23,24,27);2-9H,23H2,1H3,(H,24,27);2-7H,1H3,(H,24,25,28)
• InChIKey: JUSOTSLHOYOCBX-UHFFFAOYSA-N
• XLogP: 28.18
• TPSA: 375.94 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2341.01
LogP ≤ 5	28.18
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 N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-chlorobenzamide;4-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(3,5-difluoro-4-pyridinyl)-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide?

The IUPAC name of N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-chlorobenzamide;4-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(3,5-difluoro-4-pyridinyl)-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide (CID 159029714) is N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-chlorobenzamide;4-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(3,5-difluoro-4-pyridinyl)-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide.

What is the SMILES notation for N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-chlorobenzamide;4-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(3,5-difluoro-4-pyridinyl)-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide?

The canonical SMILES for N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-chlorobenzamide;4-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(3,5-difluoro-4-pyridinyl)-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide is CCc1cc(-c2ccc(C(=O)Nc3c(F)cccc3F)cc2F)n(CC)n1.CCc1cc(-c2ccc(C(=O)Nc3c(F)cncc3F)cc2F)n(CC)n1.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccccc2C)cc1F.Cc1cc2nccn2cc1-c1ccc(NC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-].Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cncc2F)cc1F.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2)cc1N.

What is the InChIKey of N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-chlorobenzamide;4-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(3,5-difluoro-4-pyridinyl)-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide?

The InChIKey is JUSOTSLHOYOCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O3.C20H17F4N3O.C20H18F3N3O.C19H17F3N4O.C18H14ClF3N4O.C17H10F6N4O/c1-13-10-20-23-8-9-25(20)12-18(13)17-7-6-16(11-19(17)26(28)29)24-21(27)14-2-4-15(22)5-3-14;1-3-27-17(11-18(26-27)20(22,23)24)14-9-8-13(10-15(14)21)19(28)25-16-7-5-4-6-12(16)2;1-3-13-11-18(26(4-2)25-13)14-9-8-12(10-17(14)23)20(27)24-19-15(21)6-5-7-16(19)22;1-3-12-8-17(26(4-2)25-12)13-6-5-11(7-14(13)20)19(27)24-18-15(21)9-23-10-16(18)22;1-26-15(9-16(25-26)18(20,21)22)13-7-6-12(8-14(13)23)24-17(27)10-2-4-11(19)5-3-10;1-27-13(5-14(26-27)17(21,22)23)9-3-2-8(4-10(9)18)16(28)25-15-11(19)6-24-7-12(15)20/h2-12H,1H3,(H,24,27);4-11H,3H2,1-2H3,(H,25,28);5-11H,3-4H2,1-2H3,(H,24,27);5-10H,3-4H2,1-2H3,(H,23,24,27);2-9H,23H2,1H3,(H,24,27);2-7H,1H3,(H,24,25,28).

What are the key properties of N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-chlorobenzamide;4-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(3,5-difluoro-4-pyridinyl)-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide?

N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-chlorobenzamide;4-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(3,5-difluoro-4-pyridinyl)-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide has a molecular weight of 2341.01 g/mol, XLogP of 28.18, 24 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-chlorobenzamide;4-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(3,5-difluoro-4-pyridinyl)-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 159029714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).