5-amino-1,3-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C45H36ClF8N9O4 — CID 157226376

About 5-amino-1,3-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

5-amino-1,3-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 157226376) has the molecular formula C45H36ClF8N9O4 and a molecular weight of 954.28 g/mol. Its IUPAC name is 5-amino-1,3-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

• Compound Name: 5-amino-1,3-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
• PubChem CID: 157226376
• Molecular Formula: C45H36ClF8N9O4
• Molecular Weight: 954.28 g/mol
• Exact Mass: 953.25
• IUPAC Name: 5-amino-1,3-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
• SMILES: CNC(=O)c1cc(F)ccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1cc(F)ccc1Nc1cc(Nc2ccc3c(c2)NC(=O)C3)ncc1C(F)(F)F.Nc1ccc2c(c1)CC(=O)C2
• InChI: InChI=1S/C22H17F4N5O2.C14H10ClF4N3O.C9H9NO/c1-27-21(33)14-7-12(23)3-5-16(14)30-18-9-19(28-10-15(18)22(24,25)26)29-13-4-2-11-6-20(32)31-17(11)8-13;1-20-13(23)8-4-7(16)2-3-10(8)22-11-5-12(15)21-6-9(11)14(17,18)19;10-8-2-1-6-4-9(11)5-7(6)3-8/h2-5,7-10H,6H2,1H3,(H,27,33)(H,31,32)(H2,28,29,30);2-6H,1H3,(H,20,23)(H,21,22);1-3H,4-5,10H2
• InChIKey: ATOUQZZXPBPVTN-UHFFFAOYSA-N
• XLogP: 9.51
• TPSA: 192.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	954.28
LogP ≤ 5	9.51
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

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-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

The IUPAC name of 5-amino-1,3-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 157226376) is 5-amino-1,3-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

What is the SMILES notation for 5-amino-1,3-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

The canonical SMILES for 5-amino-1,3-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is CNC(=O)c1cc(F)ccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1cc(F)ccc1Nc1cc(Nc2ccc3c(c2)NC(=O)C3)ncc1C(F)(F)F.Nc1ccc2c(c1)CC(=O)C2.

What is the InChIKey of 5-amino-1,3-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

The InChIKey is ATOUQZZXPBPVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O2.C14H10ClF4N3O.C9H9NO/c1-27-21(33)14-7-12(23)3-5-16(14)30-18-9-19(28-10-15(18)22(24,25)26)29-13-4-2-11-6-20(32)31-17(11)8-13;1-20-13(23)8-4-7(16)2-3-10(8)22-11-5-12(15)21-6-9(11)14(17,18)19;10-8-2-1-6-4-9(11)5-7(6)3-8/h2-5,7-10H,6H2,1H3,(H,27,33)(H,31,32)(H2,28,29,30);2-6H,1H3,(H,20,23)(H,21,22);1-3H,4-5,10H2.

What are the key properties of 5-amino-1,3-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

5-amino-1,3-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 954.28 g/mol, XLogP of 9.51, 8 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1,3-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 157226376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).