N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-methoxyacetyl)amino]benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(pyrazol-1-ylmethyl)benzamide

C91H92Cl4F2N14O14 — CID 158302136

About N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-methoxyacetyl)amino]benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(pyrazol-1-ylmethyl)benzamide

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-methoxyacetyl)amino]benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(pyrazol-1-ylmethyl)benzamide (PubChem CID 158302136) has the molecular formula C91H92Cl4F2N14O14 and a molecular weight of 1785.63 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-methoxyacetyl)amino]benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-methoxyacetyl)amino]benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(pyrazol-1-ylmethyl)benzamide
• PubChem CID: 158302136
• Molecular Formula: C91H92Cl4F2N14O14
• Molecular Weight: 1785.63 g/mol
• Exact Mass: 1782.56
• IUPAC Name: N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-methoxyacetyl)amino]benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(pyrazol-1-ylmethyl)benzamide
• SMILES: COCC(=O)Nc1ccccc1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1cc(C)nc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccccc4Cn4cccn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnc(C5CC5)nc4)(C2)C3)ccc1Cl
• InChI: InChI=1S/C25H25ClN4O3.C23H23ClFN3O5.C22H23ClN4O3.C21H21ClFN3O3/c1-17-11-19(7-8-21(17)26)33-13-22(31)28-24-14-25(15-24,16-24)29-23(32)20-6-3-2-5-18(20)12-30-10-4-9-27-30;1-32-9-19(29)26-18-5-3-2-4-15(18)21(31)28-23-11-22(12-23,13-23)27-20(30)10-33-14-6-7-16(24)17(25)8-14;1-13-6-16(4-5-17(13)23)30-9-18(28)26-21-10-22(11-21,12-21)27-20(29)15-7-24-19(25-8-15)14-2-3-14;1-12-5-13(2)24-17(6-12)19(28)26-21-9-20(10-21,11-21)25-18(27)8-29-14-3-4-15(22)16(23)7-14/h2-11H,12-16H2,1H3,(H,28,31)(H,29,32);2-8H,9-13H2,1H3,(H,26,29)(H,27,30)(H,28,31);4-8,14H,2-3,9-12H2,1H3,(H,26,28)(H,27,29);3-7H,8-11H2,1-2H3,(H,25,27)(H,26,28)
• InChIKey: GMPUCLCVDFFOGD-UHFFFAOYSA-N
• XLogP: 12.16
• TPSA: 364.54 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 30
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1785.63
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-methoxyacetyl)amino]benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(pyrazol-1-ylmethyl)benzamide?

The IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-methoxyacetyl)amino]benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(pyrazol-1-ylmethyl)benzamide (CID 158302136) is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-methoxyacetyl)amino]benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(pyrazol-1-ylmethyl)benzamide.

What is the SMILES notation for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-methoxyacetyl)amino]benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(pyrazol-1-ylmethyl)benzamide?

The canonical SMILES for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-methoxyacetyl)amino]benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(pyrazol-1-ylmethyl)benzamide is COCC(=O)Nc1ccccc1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1cc(C)nc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccccc4Cn4cccn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnc(C5CC5)nc4)(C2)C3)ccc1Cl.

What is the InChIKey of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-methoxyacetyl)amino]benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(pyrazol-1-ylmethyl)benzamide?

The InChIKey is GMPUCLCVDFFOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3.C23H23ClFN3O5.C22H23ClN4O3.C21H21ClFN3O3/c1-17-11-19(7-8-21(17)26)33-13-22(31)28-24-14-25(15-24,16-24)29-23(32)20-6-3-2-5-18(20)12-30-10-4-9-27-30;1-32-9-19(29)26-18-5-3-2-4-15(18)21(31)28-23-11-22(12-23,13-23)27-20(30)10-33-14-6-7-16(24)17(25)8-14;1-13-6-16(4-5-17(13)23)30-9-18(28)26-21-10-22(11-21,12-21)27-20(29)15-7-24-19(25-8-15)14-2-3-14;1-12-5-13(2)24-17(6-12)19(28)26-21-9-20(10-21,11-21)25-18(27)8-29-14-3-4-15(22)16(23)7-14/h2-11H,12-16H2,1H3,(H,28,31)(H,29,32);2-8H,9-13H2,1H3,(H,26,29)(H,27,30)(H,28,31);4-8,14H,2-3,9-12H2,1H3,(H,26,28)(H,27,29);3-7H,8-11H2,1-2H3,(H,25,27)(H,26,28).

What are the key properties of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-methoxyacetyl)amino]benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(pyrazol-1-ylmethyl)benzamide?

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-methoxyacetyl)amino]benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 1785.63 g/mol, XLogP of 12.16, 30 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-methoxyacetyl)amino]benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 158302136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).