8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane

C26H20Cl2F2N4O2 — CID 142828680

About 8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane

8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane (PubChem CID 142828680) has the molecular formula C26H20Cl2F2N4O2 and a molecular weight of 529.37 g/mol. Its IUPAC name is 8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane.

Molecular Properties

• Compound Name: 8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane
• PubChem CID: 142828680
• Molecular Formula: C26H20Cl2F2N4O2
• Molecular Weight: 529.37 g/mol
• Exact Mass: 528.09
• IUPAC Name: 8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane
• SMILES: CF.NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3cccc(Cl)c3Cl)cc1-2
• InChI: InChI=1S/C25H17Cl2FN4O2.CH3F/c26-20-3-1-2-17(21(20)27)25(34)30-15-8-4-13-5-11-18-22(24(29)33)31-32(23(18)19(13)12-15)16-9-6-14(28)7-10-16;1-2/h1-4,6-10,12H,5,11H2,(H2,29,33)(H,30,34);1H3
• InChIKey: SZIGRRURVIESJW-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 90.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.37
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane?

The IUPAC name of 8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane (CID 142828680) is 8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane.

What is the SMILES notation for 8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane?

The canonical SMILES for 8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane is CF.NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3cccc(Cl)c3Cl)cc1-2.

What is the InChIKey of 8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane?

The InChIKey is SZIGRRURVIESJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2FN4O2.CH3F/c26-20-3-1-2-17(21(20)27)25(34)30-15-8-4-13-5-11-18-22(24(29)33)31-32(23(18)19(13)12-15)16-9-6-14(28)7-10-16;1-2/h1-4,6-10,12H,5,11H2,(H2,29,33)(H,30,34);1H3.

What are the key properties of 8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane?

8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane has a molecular weight of 529.37 g/mol, XLogP of 6.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane is sourced from PubChem (CID 142828680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).