7-bromo-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;7-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(5-chloropentyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide

C113H125BrCl2F6N12O4 — CID 158312445

About 7-bromo-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;7-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(5-chloropentyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide

7-bromo-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;7-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(5-chloropentyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 158312445) has the molecular formula C113H125BrCl2F6N12O4 and a molecular weight of 1980.12 g/mol. Its IUPAC name is 7-bromo-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;7-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(5-chloropentyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 7-bromo-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;7-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(5-chloropentyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide
• PubChem CID: 158312445
• Molecular Formula: C113H125BrCl2F6N12O4
• Molecular Weight: 1980.12 g/mol
• Exact Mass: 1976.84
• IUPAC Name: 7-bromo-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;7-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(5-chloropentyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide
• SMILES: CC1(C)C2CCC(CNC(=O)c3nn(-c4ccc(F)cc4F)c4c3CCc3cc(Br)ccc3-4)C1C2.CC1(C)C2CCC(CNC(=O)c3nn(-c4ccc(F)cc4F)c4c3CCc3cc(Cl)ccc3-4)C1C2.Cc1ccc2c(c1)CCc1c(C(=O)NCC3CCC4CC3C4(C)C)nn(-c3ccc(F)cc3F)c1-2.Cc1ccc2c(c1)CCc1c(C(=O)NCC3CCC4CC3C4(C)C)nn(CCCCCCl)c1-2
• InChI: InChI=1S/C29H31F2N3O.C28H28BrF2N3O.C28H28ClF2N3O.C28H38ClN3O/c1-16-4-9-21-17(12-16)6-10-22-26(33-34(27(21)22)25-11-8-20(30)14-24(25)31)28(35)32-15-18-5-7-19-13-23(18)29(19,2)3;2*1-28(2)17-5-3-16(22(28)12-17)14-32-27(35)25-21-8-4-15-11-18(29)6-9-20(15)26(21)34(33-25)24-10-7-19(30)13-23(24)31;1-18-7-11-22-19(15-18)9-12-23-25(31-32(26(22)23)14-6-4-5-13-29)27(33)30-17-20-8-10-21-16-24(20)28(21,2)3/h4,8-9,11-12,14,18-19,23H,5-7,10,13,15H2,1-3H3,(H,32,35);2*6-7,9-11,13,16-17,22H,3-5,8,12,14H2,1-2H3,(H,32,35);7,11,15,20-21,24H,4-6,8-10,12-14,16-17H2,1-3H3,(H,30,33)
• InChIKey: GNVNSSYVFLJORX-UHFFFAOYSA-N
• XLogP: 25.05
• TPSA: 187.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1980.12
LogP ≤ 5	25.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;7-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(5-chloropentyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide?

The IUPAC name of 7-bromo-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;7-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(5-chloropentyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 158312445) is 7-bromo-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;7-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(5-chloropentyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide.

What is the SMILES notation for 7-bromo-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;7-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(5-chloropentyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide?

The canonical SMILES for 7-bromo-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;7-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(5-chloropentyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide is CC1(C)C2CCC(CNC(=O)c3nn(-c4ccc(F)cc4F)c4c3CCc3cc(Br)ccc3-4)C1C2.CC1(C)C2CCC(CNC(=O)c3nn(-c4ccc(F)cc4F)c4c3CCc3cc(Cl)ccc3-4)C1C2.Cc1ccc2c(c1)CCc1c(C(=O)NCC3CCC4CC3C4(C)C)nn(-c3ccc(F)cc3F)c1-2.Cc1ccc2c(c1)CCc1c(C(=O)NCC3CCC4CC3C4(C)C)nn(CCCCCCl)c1-2.

What is the InChIKey of 7-bromo-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;7-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(5-chloropentyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide?

The InChIKey is GNVNSSYVFLJORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2N3O.C28H28BrF2N3O.C28H28ClF2N3O.C28H38ClN3O/c1-16-4-9-21-17(12-16)6-10-22-26(33-34(27(21)22)25-11-8-20(30)14-24(25)31)28(35)32-15-18-5-7-19-13-23(18)29(19,2)3;2*1-28(2)17-5-3-16(22(28)12-17)14-32-27(35)25-21-8-4-15-11-18(29)6-9-20(15)26(21)34(33-25)24-10-7-19(30)13-23(24)31;1-18-7-11-22-19(15-18)9-12-23-25(31-32(26(22)23)14-6-4-5-13-29)27(33)30-17-20-8-10-21-16-24(20)28(21,2)3/h4,8-9,11-12,14,18-19,23H,5-7,10,13,15H2,1-3H3,(H,32,35);2*6-7,9-11,13,16-17,22H,3-5,8,12,14H2,1-2H3,(H,32,35);7,11,15,20-21,24H,4-6,8-10,12-14,16-17H2,1-3H3,(H,30,33).

What are the key properties of 7-bromo-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;7-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(5-chloropentyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide?

7-bromo-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;7-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(5-chloropentyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 1980.12 g/mol, XLogP of 25.05, 20 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;7-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(5-chloropentyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 158312445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).