2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-fluoro-4-morpholin-4-ylaniline;bis(2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);methane

C73H74ClF12N15O6 — CID 159459261

About 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-fluoro-4-morpholin-4-ylaniline;bis(2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);methane

2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-fluoro-4-morpholin-4-ylaniline;bis(2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);methane (PubChem CID 159459261) has the molecular formula C73H74ClF12N15O6 and a molecular weight of 1520.92 g/mol. Its IUPAC name is 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-fluoro-4-morpholin-4-ylaniline;bis(2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);methane.

Molecular Properties

• Compound Name: 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-fluoro-4-morpholin-4-ylaniline;bis(2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);methane
• PubChem CID: 159459261
• Molecular Formula: C73H74ClF12N15O6
• Molecular Weight: 1520.92 g/mol
• Exact Mass: 1519.54
• IUPAC Name: 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-fluoro-4-morpholin-4-ylaniline;bis(2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);methane
• SMILES: C.CNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2F)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2F)ncc1C(F)(F)F.Nc1ccc(N2CCOCC2)cc1F
• InChI: InChI=1S/2C24H23F4N5O2.C14H11ClF3N3O.C10H13FN2O.CH4/c2*1-29-23(34)16-4-2-3-5-19(16)31-21-13-22(30-14-17(21)24(26,27)28)32-20-7-6-15(12-18(20)25)33-8-10-35-11-9-33;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;11-9-7-8(1-2-10(9)12)13-3-5-14-6-4-13;/h2*2-7,12-14H,8-11H2,1H3,(H,29,34)(H2,30,31,32);2-7H,1H3,(H,19,22)(H,20,21);1-2,7H,3-6,12H2;1H4
• InChIKey: LUJJYHQGDJKWNA-UHFFFAOYSA-N
• XLogP: 15.58
• TPSA: 249.55 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1520.92
LogP ≤ 5	15.58
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-fluoro-4-morpholin-4-ylaniline;bis(2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);methane?

The IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-fluoro-4-morpholin-4-ylaniline;bis(2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);methane (CID 159459261) is 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-fluoro-4-morpholin-4-ylaniline;bis(2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);methane.

What is the SMILES notation for 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-fluoro-4-morpholin-4-ylaniline;bis(2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);methane?

The canonical SMILES for 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-fluoro-4-morpholin-4-ylaniline;bis(2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);methane is C.CNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2F)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2F)ncc1C(F)(F)F.Nc1ccc(N2CCOCC2)cc1F.

What is the InChIKey of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-fluoro-4-morpholin-4-ylaniline;bis(2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);methane?

The InChIKey is LUJJYHQGDJKWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H23F4N5O2.C14H11ClF3N3O.C10H13FN2O.CH4/c2*1-29-23(34)16-4-2-3-5-19(16)31-21-13-22(30-14-17(21)24(26,27)28)32-20-7-6-15(12-18(20)25)33-8-10-35-11-9-33;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;11-9-7-8(1-2-10(9)12)13-3-5-14-6-4-13;/h2*2-7,12-14H,8-11H2,1H3,(H,29,34)(H2,30,31,32);2-7H,1H3,(H,19,22)(H,20,21);1-2,7H,3-6,12H2;1H4.

What are the key properties of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-fluoro-4-morpholin-4-ylaniline;bis(2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);methane?

2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-fluoro-4-morpholin-4-ylaniline;bis(2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);methane has a molecular weight of 1520.92 g/mol, XLogP of 15.58, 16 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-fluoro-4-morpholin-4-ylaniline;bis(2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);methane is sourced from PubChem (CID 159459261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).