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

C46H46Cl2F8N14O6 — CID 159775094

About 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;(1-methyl-1,2,4-triazol-3-yl)methyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(1-methyl-1,2,4-triazol-3-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;(1-methyl-1,2,4-triazol-3-yl)methyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(1-methyl-1,2,4-triazol-3-yl)methyl imidazole-1-carboxylate (PubChem CID 159775094) has the molecular formula C46H46Cl2F8N14O6 and a molecular weight of 1113.86 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;(1-methyl-1,2,4-triazol-3-yl)methyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(1-methyl-1,2,4-triazol-3-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;(1-methyl-1,2,4-triazol-3-yl)methyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(1-methyl-1,2,4-triazol-3-yl)methyl imidazole-1-carboxylate
• PubChem CID: 159775094
• Molecular Formula: C46H46Cl2F8N14O6
• Molecular Weight: 1113.86 g/mol
• Exact Mass: 1112.30
• IUPAC Name: 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;(1-methyl-1,2,4-triazol-3-yl)methyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(1-methyl-1,2,4-triazol-3-yl)methyl imidazole-1-carboxylate
• SMILES: C.Cn1c(C(=O)Nc2ccc(F)c(Cl)c2)c2c(c1C(F)(F)F)C(N)CC2.Cn1cnc(COC(=O)NC2CCc3c2c(C(F)(F)F)n(C)c3C(=O)Nc2ccc(F)c(Cl)c2)n1.Cn1cnc(COC(=O)n2ccnc2)n1
• InChI: InChI=1S/C21H19ClF4N6O3.C16H14ClF4N3O.C8H9N5O2.CH4/c1-31-9-27-15(30-31)8-35-20(34)29-14-6-4-11-16(14)18(21(24,25)26)32(2)17(11)19(33)28-10-3-5-13(23)12(22)7-10;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;1-12-6-10-7(11-12)4-15-8(14)13-3-2-9-5-13;/h3,5,7,9,14H,4,6,8H2,1-2H3,(H,28,33)(H,29,34);2,4,6,11H,3,5,22H2,1H3,(H,23,25);2-3,5-6H,4H2,1H3;1H4
• InChIKey: NGQANJUMPZIJMX-UHFFFAOYSA-N
• XLogP: 9.00
• TPSA: 237.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1113.86
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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;(1-methyl-1,2,4-triazol-3-yl)methyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(1-methyl-1,2,4-triazol-3-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;(1-methyl-1,2,4-triazol-3-yl)methyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(1-methyl-1,2,4-triazol-3-yl)methyl imidazole-1-carboxylate (CID 159775094) is 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;(1-methyl-1,2,4-triazol-3-yl)methyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(1-methyl-1,2,4-triazol-3-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;(1-methyl-1,2,4-triazol-3-yl)methyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(1-methyl-1,2,4-triazol-3-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;(1-methyl-1,2,4-triazol-3-yl)methyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(1-methyl-1,2,4-triazol-3-yl)methyl imidazole-1-carboxylate is C.Cn1c(C(=O)Nc2ccc(F)c(Cl)c2)c2c(c1C(F)(F)F)C(N)CC2.Cn1cnc(COC(=O)NC2CCc3c2c(C(F)(F)F)n(C)c3C(=O)Nc2ccc(F)c(Cl)c2)n1.Cn1cnc(COC(=O)n2ccnc2)n1.

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

The InChIKey is NGQANJUMPZIJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF4N6O3.C16H14ClF4N3O.C8H9N5O2.CH4/c1-31-9-27-15(30-31)8-35-20(34)29-14-6-4-11-16(14)18(21(24,25)26)32(2)17(11)19(33)28-10-3-5-13(23)12(22)7-10;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;1-12-6-10-7(11-12)4-15-8(14)13-3-2-9-5-13;/h3,5,7,9,14H,4,6,8H2,1-2H3,(H,28,33)(H,29,34);2,4,6,11H,3,5,22H2,1H3,(H,23,25);2-3,5-6H,4H2,1H3;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;(1-methyl-1,2,4-triazol-3-yl)methyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(1-methyl-1,2,4-triazol-3-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;(1-methyl-1,2,4-triazol-3-yl)methyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(1-methyl-1,2,4-triazol-3-yl)methyl imidazole-1-carboxylate has a molecular weight of 1113.86 g/mol, XLogP of 9.00, 9 rotatable bonds, 4 hydrogen bond donors, and 17 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;(1-methyl-1,2,4-triazol-3-yl)methyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(1-methyl-1,2,4-triazol-3-yl)methyl imidazole-1-carboxylate is sourced from PubChem (CID 159775094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).