1-propyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]ethyl]-2,3-dihydroindole-7-carboxamide

C24H30F3N3O3 — CID 135268001

IUPAC1-propyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]ethyl]-2,3-dihydroindole-7-carboxamide
SMILESCCCN1CCc2cc(CCNCCOc3ccccc3OCC(F)(F)F)cc(C(N)=O)c21
InChIInChI=1S/C24H30F3N3O3/c1-2-11-30-12-8-18-14-17(15-19(22(18)30)23(28)31)7-9-29-10-13-32-20-5-3-4-6-21(20)33-16-24(25,26)27/h3-6,14-15,29H,2,7-13,16H2,1H3,(H2,28,31)
InChIKeyPHQQRTYGYPFZCU-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.71
Rot. Bonds12

About 1-propyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]ethyl]-2,3-dihydroindole-7-carboxamide

1-propyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]ethyl]-2,3-dihydroindole-7-carboxamide (PubChem CID 135268001) has the molecular formula C24H30F3N3O3 and a molecular weight of 465.52 g/mol. Its IUPAC name is 1-propyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]ethyl]-2,3-dihydroindole-7-carboxamide.

Molecular Properties

Compound Name1-propyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]ethyl]-2,3-dihydroindole-7-carboxamide
PubChem CID135268001
Molecular FormulaC24H30F3N3O3
Molecular Weight465.52 g/mol
Exact Mass465.22
IUPAC Name1-propyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]ethyl]-2,3-dihydroindole-7-carboxamide
SMILESCCCN1CCc2cc(CCNCCOc3ccccc3OCC(F)(F)F)cc(C(N)=O)c21
InChIInChI=1S/C24H30F3N3O3/c1-2-11-30-12-8-18-14-17(15-19(22(18)30)23(28)31)7-9-29-10-13-32-20-5-3-4-6-21(20)33-16-24(25,26)27/h3-6,14-15,29H,2,7-13,16H2,1H3,(H2,28,31)
InChIKeyPHQQRTYGYPFZCU-UHFFFAOYSA-N
XLogP3.71
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]ethyl]-2,3-dihydroindole-7-carboxamide?
The IUPAC name of 1-propyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]ethyl]-2,3-dihydroindole-7-carboxamide (CID 135268001) is 1-propyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]ethyl]-2,3-dihydroindole-7-carboxamide.
What is the SMILES notation for 1-propyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]ethyl]-2,3-dihydroindole-7-carboxamide?
The canonical SMILES for 1-propyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]ethyl]-2,3-dihydroindole-7-carboxamide is CCCN1CCc2cc(CCNCCOc3ccccc3OCC(F)(F)F)cc(C(N)=O)c21.
What is the InChIKey of 1-propyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]ethyl]-2,3-dihydroindole-7-carboxamide?
The InChIKey is PHQQRTYGYPFZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O3/c1-2-11-30-12-8-18-14-17(15-19(22(18)30)23(28)31)7-9-29-10-13-32-20-5-3-4-6-21(20)33-16-24(25,26)27/h3-6,14-15,29H,2,7-13,16H2,1H3,(H2,28,31).
What are the key properties of 1-propyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]ethyl]-2,3-dihydroindole-7-carboxamide?
1-propyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]ethyl]-2,3-dihydroindole-7-carboxamide has a molecular weight of 465.52 g/mol, XLogP of 3.71, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]ethyl]-2,3-dihydroindole-7-carboxamide is sourced from PubChem (CID 135268001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).