2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]carbamoyl]benzoic acid;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,5-dimethyl-1,2,4-triazole-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-naphthyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,6-naphthyridine-2-carboxamide

C93H95Cl4F2N15O14 — CID 158975189

About 2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]carbamoyl]benzoic acid;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,5-dimethyl-1,2,4-triazole-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-naphthyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,6-naphthyridine-2-carboxamide

2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]carbamoyl]benzoic acid;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,5-dimethyl-1,2,4-triazole-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-naphthyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 158975189) has the molecular formula C93H95Cl4F2N15O14 and a molecular weight of 1826.68 g/mol. Its IUPAC name is 2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]carbamoyl]benzoic acid;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,5-dimethyl-1,2,4-triazole-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-naphthyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]carbamoyl]benzoic acid;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,5-dimethyl-1,2,4-triazole-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-naphthyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,6-naphthyridine-2-carboxamide
• PubChem CID: 158975189
• Molecular Formula: C93H95Cl4F2N15O14
• Molecular Weight: 1826.68 g/mol
• Exact Mass: 1823.59
• IUPAC Name: 2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]carbamoyl]benzoic acid;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,5-dimethyl-1,2,4-triazole-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-naphthyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,6-naphthyridine-2-carboxamide
• SMILES: CC1CC2(NC(=O)c3ccccc3C(=O)O)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccc5cnccc5n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccc5ncccc5n4)(C2)C3)ccc1Cl.Cc1nc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)nn1C
• InChI: InChI=1S/C25H26ClFN2O5.2C23H21ClN4O3.C22H27ClFN5O3/c1-15-13-24(29-22(31)17-4-2-3-5-18(17)23(32)33)8-10-25(15,11-9-24)28-21(30)14-34-16-6-7-19(26)20(27)12-16;1-14-8-16(3-4-17(14)24)31-10-20(29)27-22-11-23(12-22,13-22)28-21(30)19-5-2-15-9-25-7-6-18(15)26-19;1-14-9-15(4-5-16(14)24)31-10-20(29)27-22-11-23(12-22,13-22)28-21(30)19-7-6-17-18(26-19)3-2-8-25-17;1-13-11-21(27-20(31)19-25-14(2)29(3)28-19)6-8-22(13,9-7-21)26-18(30)12-32-15-4-5-16(23)17(24)10-15/h2-7,12,15H,8-11,13-14H2,1H3,(H,28,30)(H,29,31)(H,32,33);2*2-9H,10-13H2,1H3,(H,27,29)(H,28,30);4-5,10,13H,6-9,11-12H2,1-3H3,(H,26,30)(H,27,31)
• InChIKey: JOHNFLORLKKVKB-UHFFFAOYSA-N
• XLogP: 13.51
• TPSA: 389.29 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1826.68
LogP ≤ 5	13.51
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]carbamoyl]benzoic acid;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,5-dimethyl-1,2,4-triazole-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-naphthyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,6-naphthyridine-2-carboxamide?

The IUPAC name of 2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]carbamoyl]benzoic acid;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,5-dimethyl-1,2,4-triazole-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-naphthyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,6-naphthyridine-2-carboxamide (CID 158975189) is 2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]carbamoyl]benzoic acid;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,5-dimethyl-1,2,4-triazole-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-naphthyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,6-naphthyridine-2-carboxamide.

What is the SMILES notation for 2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]carbamoyl]benzoic acid;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,5-dimethyl-1,2,4-triazole-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-naphthyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,6-naphthyridine-2-carboxamide?

The canonical SMILES for 2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]carbamoyl]benzoic acid;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,5-dimethyl-1,2,4-triazole-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-naphthyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,6-naphthyridine-2-carboxamide is CC1CC2(NC(=O)c3ccccc3C(=O)O)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccc5cnccc5n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccc5ncccc5n4)(C2)C3)ccc1Cl.Cc1nc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)nn1C.

What is the InChIKey of 2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]carbamoyl]benzoic acid;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,5-dimethyl-1,2,4-triazole-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-naphthyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,6-naphthyridine-2-carboxamide?

The InChIKey is JOHNFLORLKKVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN2O5.2C23H21ClN4O3.C22H27ClFN5O3/c1-15-13-24(29-22(31)17-4-2-3-5-18(17)23(32)33)8-10-25(15,11-9-24)28-21(30)14-34-16-6-7-19(26)20(27)12-16;1-14-8-16(3-4-17(14)24)31-10-20(29)27-22-11-23(12-22,13-22)28-21(30)19-5-2-15-9-25-7-6-18(15)26-19;1-14-9-15(4-5-16(14)24)31-10-20(29)27-22-11-23(12-22,13-22)28-21(30)19-7-6-17-18(26-19)3-2-8-25-17;1-13-11-21(27-20(31)19-25-14(2)29(3)28-19)6-8-22(13,9-7-21)26-18(30)12-32-15-4-5-16(23)17(24)10-15/h2-7,12,15H,8-11,13-14H2,1H3,(H,28,30)(H,29,31)(H,32,33);2*2-9H,10-13H2,1H3,(H,27,29)(H,28,30);4-5,10,13H,6-9,11-12H2,1-3H3,(H,26,30)(H,27,31).

What are the key properties of 2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]carbamoyl]benzoic acid;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,5-dimethyl-1,2,4-triazole-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-naphthyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,6-naphthyridine-2-carboxamide?

2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]carbamoyl]benzoic acid;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,5-dimethyl-1,2,4-triazole-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-naphthyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 1826.68 g/mol, XLogP of 13.51, 25 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]carbamoyl]benzoic acid;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,5-dimethyl-1,2,4-triazole-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-naphthyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 158975189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).