4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;2H-triazol-4-ylmethyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(2-trityltriazol-4-yl)methyl imidazole-1-carboxylate

C64H60Cl2F8N14O6 — CID 159423211

About 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;2H-triazol-4-ylmethyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(2-trityltriazol-4-yl)methyl imidazole-1-carboxylate

4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;2H-triazol-4-ylmethyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(2-trityltriazol-4-yl)methyl imidazole-1-carboxylate (PubChem CID 159423211) has the molecular formula C64H60Cl2F8N14O6 and a molecular weight of 1344.17 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;2H-triazol-4-ylmethyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(2-trityltriazol-4-yl)methyl imidazole-1-carboxylate.

Molecular Properties

• Compound Name: 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;2H-triazol-4-ylmethyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(2-trityltriazol-4-yl)methyl imidazole-1-carboxylate
• PubChem CID: 159423211
• Molecular Formula: C64H60Cl2F8N14O6
• Molecular Weight: 1344.17 g/mol
• Exact Mass: 1342.41
• IUPAC Name: 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;2H-triazol-4-ylmethyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(2-trityltriazol-4-yl)methyl imidazole-1-carboxylate
• SMILES: C.C.Cn1c(C(=O)Nc2ccc(F)c(Cl)c2)c2c(c1C(F)(F)F)C(N)CC2.Cn1c(C(=O)Nc2ccc(F)c(Cl)c2)c2c(c1C(F)(F)F)C(NC(=O)OCc1cn[nH]n1)CC2.O=C(OCc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1)n1ccnc1
• InChI: InChI=1S/C26H21N5O2.C20H17ClF4N6O3.C16H14ClF4N3O.2CH4/c32-25(30-17-16-27-20-30)33-19-24-18-28-31(29-24)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-31-16(18(32)27-9-2-4-13(22)12(21)6-9)11-3-5-14(15(11)17(31)20(23,24)25)28-19(33)34-8-10-7-26-30-29-10;1-24-13(15(25)23-7-2-4-10(18)9(17)6-7)8-3-5-11(22)12(8)14(24)16(19,20)21;;/h1-18,20H,19H2;2,4,6-7,14H,3,5,8H2,1H3,(H,27,32)(H,28,33)(H,26,29,30);2,4,6,11H,3,5,22H2,1H3,(H,23,25);2*1H4
• InChIKey: LQAGEVQZNUCGFF-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 248.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1344.17
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;2H-triazol-4-ylmethyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(2-trityltriazol-4-yl)methyl imidazole-1-carboxylate?

The IUPAC name of 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;2H-triazol-4-ylmethyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(2-trityltriazol-4-yl)methyl imidazole-1-carboxylate (CID 159423211) is 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;2H-triazol-4-ylmethyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(2-trityltriazol-4-yl)methyl imidazole-1-carboxylate.

What is the SMILES notation for 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;2H-triazol-4-ylmethyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(2-trityltriazol-4-yl)methyl imidazole-1-carboxylate?

The canonical SMILES for 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;2H-triazol-4-ylmethyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(2-trityltriazol-4-yl)methyl imidazole-1-carboxylate is C.C.Cn1c(C(=O)Nc2ccc(F)c(Cl)c2)c2c(c1C(F)(F)F)C(N)CC2.Cn1c(C(=O)Nc2ccc(F)c(Cl)c2)c2c(c1C(F)(F)F)C(NC(=O)OCc1cn[nH]n1)CC2.O=C(OCc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1)n1ccnc1.

What is the InChIKey of 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;2H-triazol-4-ylmethyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(2-trityltriazol-4-yl)methyl imidazole-1-carboxylate?

The InChIKey is LQAGEVQZNUCGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2.C20H17ClF4N6O3.C16H14ClF4N3O.2CH4/c32-25(30-17-16-27-20-30)33-19-24-18-28-31(29-24)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-31-16(18(32)27-9-2-4-13(22)12(21)6-9)11-3-5-14(15(11)17(31)20(23,24)25)28-19(33)34-8-10-7-26-30-29-10;1-24-13(15(25)23-7-2-4-10(18)9(17)6-7)8-3-5-11(22)12(8)14(24)16(19,20)21;;/h1-18,20H,19H2;2,4,6-7,14H,3,5,8H2,1H3,(H,27,32)(H,28,33)(H,26,29,30);2,4,6,11H,3,5,22H2,1H3,(H,23,25);2*1H4.

What are the key properties of 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;2H-triazol-4-ylmethyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(2-trityltriazol-4-yl)methyl imidazole-1-carboxylate?

4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;2H-triazol-4-ylmethyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(2-trityltriazol-4-yl)methyl imidazole-1-carboxylate has a molecular weight of 1344.17 g/mol, XLogP of 13.93, 13 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;2H-triazol-4-ylmethyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(2-trityltriazol-4-yl)methyl imidazole-1-carboxylate is sourced from PubChem (CID 159423211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).