N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;2-chloro-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide

C86H64ClF12N15O10S2 — CID 158687319

About N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;2-chloro-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide

N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;2-chloro-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 158687319) has the molecular formula C86H64ClF12N15O10S2 and a molecular weight of 1795.12 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;2-chloro-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;2-chloro-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide
• PubChem CID: 158687319
• Molecular Formula: C86H64ClF12N15O10S2
• Molecular Weight: 1795.12 g/mol
• Exact Mass: 1793.39
• IUPAC Name: N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;2-chloro-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide
• SMILES: Cc1ccc(N)cc1[N+](=O)[O-].Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc2nc(-c3cccnc3)cnc2s1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc2nc(Cl)cnc2s1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]
• InChI: InChI=1S/C27H18F3N5O2S.C22H14ClF3N4O2S.C15H11F3N2O3.C15H13F3N2O.C7H8N2O2/c1-15-7-8-19(33-24(36)16-4-2-6-18(10-16)27(28,29)30)11-20(15)35-25(37)23-12-21-26(38-23)32-14-22(34-21)17-5-3-9-31-13-17;1-11-5-6-14(28-19(31)12-3-2-4-13(7-12)22(24,25)26)8-15(11)30-20(32)17-9-16-21(33-17)27-10-18(23)29-16;1-9-5-6-12(8-13(9)20(22)23)19-14(21)10-3-2-4-11(7-10)15(16,17)18;1-9-5-6-12(8-13(9)19)20-14(21)10-3-2-4-11(7-10)15(16,17)18;1-5-2-3-6(8)4-7(5)9(10)11/h2-14H,1H3,(H,33,36)(H,35,37);2-10H,1H3,(H,28,31)(H,30,32);2-8H,1H3,(H,19,21);2-8H,19H2,1H3,(H,20,21);2-4H,8H2,1H3
• InChIKey: IFXBWDABJAHAIJ-UHFFFAOYSA-N
• XLogP: 22.27
• TPSA: 377.37 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1795.12
LogP ≤ 5	22.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

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-methylphenyl)-3-(trifluoromethyl)benzamide;2-chloro-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide?

The IUPAC name of N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;2-chloro-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide (CID 158687319) is N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;2-chloro-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide.

What is the SMILES notation for N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;2-chloro-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide?

The canonical SMILES for N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;2-chloro-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide is Cc1ccc(N)cc1[N+](=O)[O-].Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc2nc(-c3cccnc3)cnc2s1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc2nc(Cl)cnc2s1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-].

What is the InChIKey of N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;2-chloro-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide?

The InChIKey is IFXBWDABJAHAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N5O2S.C22H14ClF3N4O2S.C15H11F3N2O3.C15H13F3N2O.C7H8N2O2/c1-15-7-8-19(33-24(36)16-4-2-6-18(10-16)27(28,29)30)11-20(15)35-25(37)23-12-21-26(38-23)32-14-22(34-21)17-5-3-9-31-13-17;1-11-5-6-14(28-19(31)12-3-2-4-13(7-12)22(24,25)26)8-15(11)30-20(32)17-9-16-21(33-17)27-10-18(23)29-16;1-9-5-6-12(8-13(9)20(22)23)19-14(21)10-3-2-4-11(7-10)15(16,17)18;1-9-5-6-12(8-13(9)19)20-14(21)10-3-2-4-11(7-10)15(16,17)18;1-5-2-3-6(8)4-7(5)9(10)11/h2-14H,1H3,(H,33,36)(H,35,37);2-10H,1H3,(H,28,31)(H,30,32);2-8H,1H3,(H,19,21);2-8H,19H2,1H3,(H,20,21);2-4H,8H2,1H3.

What are the key properties of N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;2-chloro-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide?

N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;2-chloro-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 1795.12 g/mol, XLogP of 22.27, 15 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;2-chloro-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide;N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 158687319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).