3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal

C22H24FNO2 — CID 89063108

IUPAC3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal
SMILESO=CCCc1ccc(OCc2cccc3c2N(CC2CC2)CC3)cc1F
InChIInChI=1S/C22H24FNO2/c23-21-13-20(9-8-17(21)5-2-12-25)26-15-19-4-1-3-18-10-11-24(22(18)19)14-16-6-7-16/h1,3-4,8-9,12-13,16H,2,5-7,10-11,14-15H2
InChIKeyHLPQTQDJEXCBDP-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.31
Rot. Bonds8

About 3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal

3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal (PubChem CID 89063108) has the molecular formula C22H24FNO2 and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal.

Molecular Properties

Compound Name3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal
PubChem CID89063108
Molecular FormulaC22H24FNO2
Molecular Weight353.44 g/mol
Exact Mass353.18
IUPAC Name3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal
SMILESO=CCCc1ccc(OCc2cccc3c2N(CC2CC2)CC3)cc1F
InChIInChI=1S/C22H24FNO2/c23-21-13-20(9-8-17(21)5-2-12-25)26-15-19-4-1-3-18-10-11-24(22(18)19)14-16-6-7-16/h1,3-4,8-9,12-13,16H,2,5-7,10-11,14-15H2
InChIKeyHLPQTQDJEXCBDP-UHFFFAOYSA-N
XLogP4.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal 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 3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal?
The IUPAC name of 3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal (CID 89063108) is 3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal.
What is the SMILES notation for 3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal?
The canonical SMILES for 3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal is O=CCCc1ccc(OCc2cccc3c2N(CC2CC2)CC3)cc1F.
What is the InChIKey of 3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal?
The InChIKey is HLPQTQDJEXCBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO2/c23-21-13-20(9-8-17(21)5-2-12-25)26-15-19-4-1-3-18-10-11-24(22(18)19)14-16-6-7-16/h1,3-4,8-9,12-13,16H,2,5-7,10-11,14-15H2.
What are the key properties of 3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal?
3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal has a molecular weight of 353.44 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal is sourced from PubChem (CID 89063108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).