4-bromo-3-(trifluoromethyl)benzoic acid;4-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-(cyclobutylmethyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;bis(4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide);4-(cyclobutylmethyl)-1H-pyrazole;5-[4-(cyclobutylmethyl)pyrazol-1-yl]-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetaldehyde

C184H197Br2F10N35O20 — CID 165001199

About 4-bromo-3-(trifluoromethyl)benzoic acid;4-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-(cyclobutylmethyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;bis(4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide);4-(cyclobutylmethyl)-1H-pyrazole;5-[4-(cyclobutylmethyl)pyrazol-1-yl]-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetaldehyde

4-bromo-3-(trifluoromethyl)benzoic acid;4-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-(cyclobutylmethyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;bis(4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide);4-(cyclobutylmethyl)-1H-pyrazole;5-[4-(cyclobutylmethyl)pyrazol-1-yl]-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetaldehyde (PubChem CID 165001199) has the molecular formula C184H197Br2F10N35O20 and a molecular weight of 3568.61 g/mol. Its IUPAC name is 4-bromo-3-(trifluoromethyl)benzoic acid;4-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-(cyclobutylmethyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;bis(4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide);4-(cyclobutylmethyl)-1H-pyrazole;5-[4-(cyclobutylmethyl)pyrazol-1-yl]-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 4-bromo-3-(trifluoromethyl)benzoic acid;4-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-(cyclobutylmethyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;bis(4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide);4-(cyclobutylmethyl)-1H-pyrazole;5-[4-(cyclobutylmethyl)pyrazol-1-yl]-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetaldehyde
• PubChem CID: 165001199
• Molecular Formula: C184H197Br2F10N35O20
• Molecular Weight: 3568.61 g/mol
• Exact Mass: 3564.37
• IUPAC Name: 4-bromo-3-(trifluoromethyl)benzoic acid;4-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-(cyclobutylmethyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;bis(4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide);4-(cyclobutylmethyl)-1H-pyrazole;5-[4-(cyclobutylmethyl)pyrazol-1-yl]-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetaldehyde
• SMILES: CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CC5CCC5)c24)CN(C(=O)OC(C)(C)C)C(C)C3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CC5CCC5)c24)CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)C(C)C3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CC5CCC5)c24)CNC(C)C3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CC5CCC5)c24)CNC(C)C3)cc1.CNC(=O)c1ccc(-n2c(=O)c3cc(C)ncc3n3ncc(CC4CCC4)c23)cc1.CNC(=O)c1ccc(NC(=O)c2cc(C)ncc2-n2cc(CC3CCC3)cn2)cc1.CNC(=O)c1ccc(NC(=O)c2cc(C)ncc2F)cc1.O=C(O)c1ccc(Br)c(C(F)(F)F)c1.O=CC(F)(F)F.c1n[nH]cc1CC1CCC1
• InChI: InChI=1S/C31H29BrF3N5O3.C28H35N5O4.2C23H27N5O2.C23H23N5O2.C23H25N5O2.C15H14FN3O2.C8H4BrF3O2.C8H12N2.C2HF3O/c1-17-12-23-26(16-38(17)29(42)20-8-11-25(32)24(14-20)31(33,34)35)40-28(21(15-37-40)13-18-4-3-5-18)39(30(23)43)22-9-6-19(7-10-22)27(41)36-2;1-17-13-22-23(16-31(17)27(36)37-28(2,3)4)33-25(20(15-30-33)14-18-7-6-8-18)32(26(22)35)21-11-9-19(10-12-21)24(34)29-5;3*1-14-10-19-20(13-25-14)28-22(17(12-26-28)11-15-4-3-5-15)27(23(19)30)18-8-6-16(7-9-18)21(29)24-2;1-15-10-20(23(30)27-19-8-6-18(7-9-19)22(29)24-2)21(13-25-15)28-14-17(12-26-28)11-16-4-3-5-16;1-9-7-12(13(16)8-18-9)15(21)19-11-5-3-10(4-6-11)14(20)17-2;9-6-2-1-4(7(13)14)3-5(6)8(10,11)12;1-2-7(3-1)4-8-5-9-10-6-8;3-2(4,5)1-6/h6-11,14-15,17-18H,3-5,12-13,16H2,1-2H3,(H,36,41);9-12,15,17-18H,6-8,13-14,16H2,1-5H3,(H,29,34);2*6-9,12,14-15,25H,3-5,10-11,13H2,1-2H3,(H,24,29);6-10,12-13,15H,3-5,11H2,1-2H3,(H,24,29);6-10,12-14,16H,3-5,11H2,1-2H3,(H,24,29)(H,27,30);3-8H,1-2H3,(H,17,20)(H,19,21);1-3H,(H,13,14);5-7H,1-4H2,(H,9,10);1H
• InChIKey: IGXWBVGCPAHIHC-UHFFFAOYSA-N
• XLogP: 28.25
• TPSA: 671.85 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 42
• Rotatable Bonds: 33
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3568.61
LogP ≤ 5	28.25
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(trifluoromethyl)benzoic acid;4-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-(cyclobutylmethyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;bis(4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide);4-(cyclobutylmethyl)-1H-pyrazole;5-[4-(cyclobutylmethyl)pyrazol-1-yl]-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 4-bromo-3-(trifluoromethyl)benzoic acid;4-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-(cyclobutylmethyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;bis(4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide);4-(cyclobutylmethyl)-1H-pyrazole;5-[4-(cyclobutylmethyl)pyrazol-1-yl]-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetaldehyde (CID 165001199) is 4-bromo-3-(trifluoromethyl)benzoic acid;4-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-(cyclobutylmethyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;bis(4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide);4-(cyclobutylmethyl)-1H-pyrazole;5-[4-(cyclobutylmethyl)pyrazol-1-yl]-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 4-bromo-3-(trifluoromethyl)benzoic acid;4-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-(cyclobutylmethyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;bis(4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide);4-(cyclobutylmethyl)-1H-pyrazole;5-[4-(cyclobutylmethyl)pyrazol-1-yl]-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 4-bromo-3-(trifluoromethyl)benzoic acid;4-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-(cyclobutylmethyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;bis(4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide);4-(cyclobutylmethyl)-1H-pyrazole;5-[4-(cyclobutylmethyl)pyrazol-1-yl]-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetaldehyde is CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CC5CCC5)c24)CN(C(=O)OC(C)(C)C)C(C)C3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CC5CCC5)c24)CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)C(C)C3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CC5CCC5)c24)CNC(C)C3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CC5CCC5)c24)CNC(C)C3)cc1.CNC(=O)c1ccc(-n2c(=O)c3cc(C)ncc3n3ncc(CC4CCC4)c23)cc1.CNC(=O)c1ccc(NC(=O)c2cc(C)ncc2-n2cc(CC3CCC3)cn2)cc1.CNC(=O)c1ccc(NC(=O)c2cc(C)ncc2F)cc1.O=C(O)c1ccc(Br)c(C(F)(F)F)c1.O=CC(F)(F)F.c1n[nH]cc1CC1CCC1.

What is the InChIKey of 4-bromo-3-(trifluoromethyl)benzoic acid;4-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-(cyclobutylmethyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;bis(4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide);4-(cyclobutylmethyl)-1H-pyrazole;5-[4-(cyclobutylmethyl)pyrazol-1-yl]-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetaldehyde?

The InChIKey is IGXWBVGCPAHIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29BrF3N5O3.C28H35N5O4.2C23H27N5O2.C23H23N5O2.C23H25N5O2.C15H14FN3O2.C8H4BrF3O2.C8H12N2.C2HF3O/c1-17-12-23-26(16-38(17)29(42)20-8-11-25(32)24(14-20)31(33,34)35)40-28(21(15-37-40)13-18-4-3-5-18)39(30(23)43)22-9-6-19(7-10-22)27(41)36-2;1-17-13-22-23(16-31(17)27(36)37-28(2,3)4)33-25(20(15-30-33)14-18-7-6-8-18)32(26(22)35)21-11-9-19(10-12-21)24(34)29-5;3*1-14-10-19-20(13-25-14)28-22(17(12-26-28)11-15-4-3-5-15)27(23(19)30)18-8-6-16(7-9-18)21(29)24-2;1-15-10-20(23(30)27-19-8-6-18(7-9-19)22(29)24-2)21(13-25-15)28-14-17(12-26-28)11-16-4-3-5-16;1-9-7-12(13(16)8-18-9)15(21)19-11-5-3-10(4-6-11)14(20)17-2;9-6-2-1-4(7(13)14)3-5(6)8(10,11)12;1-2-7(3-1)4-8-5-9-10-6-8;3-2(4,5)1-6/h6-11,14-15,17-18H,3-5,12-13,16H2,1-2H3,(H,36,41);9-12,15,17-18H,6-8,13-14,16H2,1-5H3,(H,29,34);2*6-9,12,14-15,25H,3-5,10-11,13H2,1-2H3,(H,24,29);6-10,12-13,15H,3-5,11H2,1-2H3,(H,24,29);6-10,12-14,16H,3-5,11H2,1-2H3,(H,24,29)(H,27,30);3-8H,1-2H3,(H,17,20)(H,19,21);1-3H,(H,13,14);5-7H,1-4H2,(H,9,10);1H.

What are the key properties of 4-bromo-3-(trifluoromethyl)benzoic acid;4-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-(cyclobutylmethyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;bis(4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide);4-(cyclobutylmethyl)-1H-pyrazole;5-[4-(cyclobutylmethyl)pyrazol-1-yl]-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetaldehyde?

4-bromo-3-(trifluoromethyl)benzoic acid;4-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-(cyclobutylmethyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;bis(4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide);4-(cyclobutylmethyl)-1H-pyrazole;5-[4-(cyclobutylmethyl)pyrazol-1-yl]-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetaldehyde has a molecular weight of 3568.61 g/mol, XLogP of 28.25, 33 rotatable bonds, 13 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-3-(trifluoromethyl)benzoic acid;4-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-(cyclobutylmethyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;bis(4-[5-(cyclobutylmethyl)-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide);4-(cyclobutylmethyl)-1H-pyrazole;5-[4-(cyclobutylmethyl)pyrazol-1-yl]-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;5-fluoro-2-methyl-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 165001199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).