2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide

C87H59Cl4F12N13O4 — CID 158944616

About 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide

2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide (PubChem CID 158944616) has the molecular formula C87H59Cl4F12N13O4 and a molecular weight of 1720.30 g/mol. Its IUPAC name is 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide
• PubChem CID: 158944616
• Molecular Formula: C87H59Cl4F12N13O4
• Molecular Weight: 1720.30 g/mol
• Exact Mass: 1717.34
• IUPAC Name: 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide
• SMILES: O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccc(Cl)cc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(Cl)c1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(Cl)n1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1Cl
• InChI: InChI=1S/3C22H15ClF3N3O.C21H14ClF3N4O/c23-18-7-3-1-5-16(18)21(30)27-20-17-6-2-4-8-19(17)29(28-20)13-14-9-11-15(12-10-14)22(24,25)26;23-17-5-3-4-15(12-17)21(30)27-20-18-6-1-2-7-19(18)29(28-20)13-14-8-10-16(11-9-14)22(24,25)26;23-17-11-7-15(8-12-17)21(30)27-20-18-3-1-2-4-19(18)29(28-20)13-14-5-9-16(10-6-14)22(24,25)26;22-18-7-3-5-16(26-18)20(30)27-19-15-4-1-2-6-17(15)29(28-19)12-13-8-10-14(11-9-13)21(23,24)25/h3*1-12H,13H2,(H,27,28,30);1-11H,12H2,(H,27,28,30)
• InChIKey: JKRACDCBRWNEKU-UHFFFAOYSA-N
• XLogP: 23.43
• TPSA: 200.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1720.30
LogP ≤ 5	23.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide?

The IUPAC name of 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide (CID 158944616) is 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide.

What is the SMILES notation for 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide?

The canonical SMILES for 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccc(Cl)cc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(Cl)c1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(Cl)n1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1Cl.

What is the InChIKey of 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide?

The InChIKey is JKRACDCBRWNEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H15ClF3N3O.C21H14ClF3N4O/c23-18-7-3-1-5-16(18)21(30)27-20-17-6-2-4-8-19(17)29(28-20)13-14-9-11-15(12-10-14)22(24,25)26;23-17-5-3-4-15(12-17)21(30)27-20-18-6-1-2-7-19(18)29(28-20)13-14-8-10-16(11-9-14)22(24,25)26;23-17-11-7-15(8-12-17)21(30)27-20-18-3-1-2-4-19(18)29(28-20)13-14-5-9-16(10-6-14)22(24,25)26;22-18-7-3-5-16(26-18)20(30)27-19-15-4-1-2-6-17(15)29(28-19)12-13-8-10-14(11-9-13)21(23,24)25/h3*1-12H,13H2,(H,27,28,30);1-11H,12H2,(H,27,28,30).

What are the key properties of 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide?

2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide has a molecular weight of 1720.30 g/mol, XLogP of 23.43, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158944616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).