5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)

C68H57ClF9N13O6 — CID 158696731

About 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)

5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide) (PubChem CID 158696731) has the molecular formula C68H57ClF9N13O6 and a molecular weight of 1358.72 g/mol. Its IUPAC name is 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide).

Molecular Properties

• Compound Name: 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
• PubChem CID: 158696731
• Molecular Formula: C68H57ClF9N13O6
• Molecular Weight: 1358.72 g/mol
• Exact Mass: 1357.41
• IUPAC Name: 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
• SMILES: CNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)CC(=O)C3)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)CC(=O)C3)ncc1C(F)(F)F.Nc1ccc2c(c1)CC(=O)N2
• InChI: InChI=1S/2C23H19F3N4O2.C14H11ClF3N3O.C8H8N2O/c2*1-27-22(32)17-4-2-3-5-19(17)30-20-11-21(28-12-18(20)23(24,25)26)29-15-7-6-13-9-16(31)10-14(13)8-15;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;9-6-1-2-7-5(3-6)4-8(11)10-7/h2*2-8,11-12H,9-10H2,1H3,(H,27,32)(H2,28,29,30);2-7H,1H3,(H,19,22)(H,20,21);1-3H,4,9H2,(H,10,11)
• InChIKey: IHAQAJQSLNDYPK-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 275.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1358.72
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

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 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)?

The IUPAC name of 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide) (CID 158696731) is 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide).

What is the SMILES notation for 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)?

The canonical SMILES for 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide) is CNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)CC(=O)C3)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)CC(=O)C3)ncc1C(F)(F)F.Nc1ccc2c(c1)CC(=O)N2.

What is the InChIKey of 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)?

The InChIKey is IHAQAJQSLNDYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H19F3N4O2.C14H11ClF3N3O.C8H8N2O/c2*1-27-22(32)17-4-2-3-5-19(17)30-20-11-21(28-12-18(20)23(24,25)26)29-15-7-6-13-9-16(31)10-14(13)8-15;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;9-6-1-2-7-5(3-6)4-8(11)10-7/h2*2-8,11-12H,9-10H2,1H3,(H,27,32)(H2,28,29,30);2-7H,1H3,(H,19,22)(H,20,21);1-3H,4,9H2,(H,10,11).

What are the key properties of 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)?

5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide) has a molecular weight of 1358.72 g/mol, XLogP of 13.85, 13 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide) is sourced from PubChem (CID 158696731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).