2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-5-phenylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-benzoxazole-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,3-benzoxazole-2-carboxamide

C93H89Cl4F2N9O15 — CID 160743286

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-5-phenylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-benzoxazole-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,3-benzoxazole-2-carboxamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-5-phenylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-benzoxazole-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,3-benzoxazole-2-carboxamide (PubChem CID 160743286) has the molecular formula C93H89Cl4F2N9O15 and a molecular weight of 1752.59 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-5-phenylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-benzoxazole-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,3-benzoxazole-2-carboxamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-5-phenylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-benzoxazole-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,3-benzoxazole-2-carboxamide
• PubChem CID: 160743286
• Molecular Formula: C93H89Cl4F2N9O15
• Molecular Weight: 1752.59 g/mol
• Exact Mass: 1749.52
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-5-phenylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-benzoxazole-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,3-benzoxazole-2-carboxamide
• SMILES: CC(C)Cc1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)on1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4nc5ccccc5o4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4noc5ccccc45)(C2)C3)ccc1Cl.Cn1nc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1-c1ccccc1
• InChI: InChI=1S/C25H23ClFN3O3.2C23H21ClN2O4.C22H24ClFN2O4/c1-30-21(16-5-3-2-4-6-16)10-20(29-30)22(31)11-24-13-25(14-24,15-24)28-23(32)12-33-17-7-8-18(26)19(27)9-17;1-14-8-16(6-7-17(14)24)29-10-15(27)9-22-11-23(12-22,13-22)26-20(28)21-25-18-4-2-3-5-19(18)30-21;1-14-8-16(6-7-18(14)24)29-10-15(27)9-22-11-23(12-22,13-22)25-21(28)20-17-4-2-3-5-19(17)30-26-20;1-13(2)5-14-6-19(30-26-14)18(27)8-21-10-22(11-21,12-21)25-20(28)9-29-15-3-4-16(23)17(24)7-15/h2-10H,11-15H2,1H3,(H,28,32);2-8H,9-13H2,1H3,(H,26,28);2-8H,9-13H2,1H3,(H,25,28);3-4,6-7,13H,5,8-12H2,1-2H3,(H,25,28)
• InChIKey: RVWGHLODFDGBTK-UHFFFAOYSA-N
• XLogP: 17.89
• TPSA: 317.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 31
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1752.59
LogP ≤ 5	17.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-5-phenylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-benzoxazole-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,3-benzoxazole-2-carboxamide?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-5-phenylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-benzoxazole-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,3-benzoxazole-2-carboxamide (CID 160743286) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-5-phenylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-benzoxazole-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,3-benzoxazole-2-carboxamide.

What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-5-phenylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-benzoxazole-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,3-benzoxazole-2-carboxamide?

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-5-phenylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-benzoxazole-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,3-benzoxazole-2-carboxamide is CC(C)Cc1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)on1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4nc5ccccc5o4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4noc5ccccc45)(C2)C3)ccc1Cl.Cn1nc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1-c1ccccc1.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-5-phenylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-benzoxazole-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,3-benzoxazole-2-carboxamide?

The InChIKey is RVWGHLODFDGBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O3.2C23H21ClN2O4.C22H24ClFN2O4/c1-30-21(16-5-3-2-4-6-16)10-20(29-30)22(31)11-24-13-25(14-24,15-24)28-23(32)12-33-17-7-8-18(26)19(27)9-17;1-14-8-16(6-7-17(14)24)29-10-15(27)9-22-11-23(12-22,13-22)26-20(28)21-25-18-4-2-3-5-19(18)30-21;1-14-8-16(6-7-18(14)24)29-10-15(27)9-22-11-23(12-22,13-22)25-21(28)20-17-4-2-3-5-19(17)30-26-20;1-13(2)5-14-6-19(30-26-14)18(27)8-21-10-22(11-21,12-21)25-20(28)9-29-15-3-4-16(23)17(24)7-15/h2-10H,11-15H2,1H3,(H,28,32);2-8H,9-13H2,1H3,(H,26,28);2-8H,9-13H2,1H3,(H,25,28);3-4,6-7,13H,5,8-12H2,1-2H3,(H,25,28).

What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-5-phenylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-benzoxazole-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,3-benzoxazole-2-carboxamide?

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-5-phenylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-benzoxazole-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,3-benzoxazole-2-carboxamide has a molecular weight of 1752.59 g/mol, XLogP of 17.89, 31 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-5-phenylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-benzoxazole-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,3-benzoxazole-2-carboxamide is sourced from PubChem (CID 160743286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).