5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide

C23H29BrFN3O3 — CID 123378354

IUPAC5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
SMILESCC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1Br
InChIInChI=1S/C23H29BrFN3O3/c1-15(27-6-10-31-21-4-3-18(25)14-20(21)24)11-16-12-17-5-8-28(7-2-9-29)22(17)19(13-16)23(26)30/h3-4,12-15,27,29H,2,5-11H2,1H3,(H2,26,30)
InChIKeyQJJQUQTVHNLXRY-UHFFFAOYSA-N
MW494.41 g/mol
LogP3.03
Rot. Bonds11

About 5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide

5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide (PubChem CID 123378354) has the molecular formula C23H29BrFN3O3 and a molecular weight of 494.41 g/mol. Its IUPAC name is 5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide.

Molecular Properties

Compound Name5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
PubChem CID123378354
Molecular FormulaC23H29BrFN3O3
Molecular Weight494.41 g/mol
Exact Mass493.14
IUPAC Name5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
SMILESCC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1Br
InChIInChI=1S/C23H29BrFN3O3/c1-15(27-6-10-31-21-4-3-18(25)14-20(21)24)11-16-12-17-5-8-28(7-2-9-29)22(17)19(13-16)23(26)30/h3-4,12-15,27,29H,2,5-11H2,1H3,(H2,26,30)
InChIKeyQJJQUQTVHNLXRY-UHFFFAOYSA-N
XLogP3.03
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.41
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide?
The IUPAC name of 5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide (CID 123378354) is 5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide.
What is the SMILES notation for 5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide?
The canonical SMILES for 5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide is CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1Br.
What is the InChIKey of 5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide?
The InChIKey is QJJQUQTVHNLXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrFN3O3/c1-15(27-6-10-31-21-4-3-18(25)14-20(21)24)11-16-12-17-5-8-28(7-2-9-29)22(17)19(13-16)23(26)30/h3-4,12-15,27,29H,2,5-11H2,1H3,(H2,26,30).
What are the key properties of 5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide?
5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide has a molecular weight of 494.41 g/mol, XLogP of 3.03, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide is sourced from PubChem (CID 123378354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).