N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide

C25H23F3N2O3 — CID 168986833

About N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide

N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 168986833) has the molecular formula C25H23F3N2O3 and a molecular weight of 456.46 g/mol. Its IUPAC name is N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
• PubChem CID: 168986833
• Molecular Formula: C25H23F3N2O3
• Molecular Weight: 456.46 g/mol
• Exact Mass: 456.17
• IUPAC Name: N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
• SMILES: O=C(Nc1c[nH]c2ccc(OC3CC(c4ccc(C(F)(F)F)cc4)C3)cc12)C1C2COCC21
• InChI: InChI=1S/C25H23F3N2O3/c26-25(27,28)15-3-1-13(2-4-15)14-7-17(8-14)33-16-5-6-21-18(9-16)22(10-29-21)30-24(31)23-19-11-32-12-20(19)23/h1-6,9-10,14,17,19-20,23,29H,7-8,11-12H2,(H,30,31)
• InChIKey: UOBOISRWFDFNNU-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 63.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.46
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?

The IUPAC name of N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide (CID 168986833) is N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide.

What is the SMILES notation for N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?

The canonical SMILES for N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide is O=C(Nc1c[nH]c2ccc(OC3CC(c4ccc(C(F)(F)F)cc4)C3)cc12)C1C2COCC21.

What is the InChIKey of N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?

The InChIKey is UOBOISRWFDFNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3/c26-25(27,28)15-3-1-13(2-4-15)14-7-17(8-14)33-16-5-6-21-18(9-16)22(10-29-21)30-24(31)23-19-11-32-12-20(19)23/h1-6,9-10,14,17,19-20,23,29H,7-8,11-12H2,(H,30,31).

What are the key properties of N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?

N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 456.46 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 168986833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).