N-[3-(3-acetamidophenyl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide

C34H37FN4O3 — CID 155064152

About N-[3-(3-acetamidophenyl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide

N-[3-(3-acetamidophenyl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 155064152) has the molecular formula C34H37FN4O3 and a molecular weight of 568.69 g/mol. Its IUPAC name is N-[3-(3-acetamidophenyl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3-acetamidophenyl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 155064152
• Molecular Formula: C34H37FN4O3
• Molecular Weight: 568.69 g/mol
• Exact Mass: 568.28
• IUPAC Name: N-[3-(3-acetamidophenyl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
• SMILES: CC(=O)Nc1cccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)c1
• InChI: InChI=1S/C34H37FN4O3/c1-22(40)36-26-6-2-4-24(16-26)25-5-3-7-27(17-25)39(30(41)33-18-34(35,19-33)20-33)21-31-10-13-32(14-11-31,15-12-31)29-37-28(38-42-29)23-8-9-23/h2-7,16-17,23H,8-15,18-21H2,1H3,(H,36,40)
• InChIKey: XPAXNHSBKTXXRQ-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.69
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-acetamidophenyl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of N-[3-(3-acetamidophenyl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (CID 155064152) is N-[3-(3-acetamidophenyl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide.

What is the SMILES notation for N-[3-(3-acetamidophenyl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for N-[3-(3-acetamidophenyl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is CC(=O)Nc1cccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)c1.

What is the InChIKey of N-[3-(3-acetamidophenyl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is XPAXNHSBKTXXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37FN4O3/c1-22(40)36-26-6-2-4-24(16-26)25-5-3-7-27(17-25)39(30(41)33-18-34(35,19-33)20-33)21-31-10-13-32(14-11-31,15-12-31)29-37-28(38-42-29)23-8-9-23/h2-7,16-17,23H,8-15,18-21H2,1H3,(H,36,40).

What are the key properties of N-[3-(3-acetamidophenyl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

N-[3-(3-acetamidophenyl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 568.69 g/mol, XLogP of 7.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-acetamidophenyl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 155064152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).