4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide

C21H23FN2O2 — CID 52715106

IUPAC4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide
SMILESO=C(CCCOc1cccc(F)c1)NCCCn1ccc2ccccc21
InChIInChI=1S/C21H23FN2O2/c22-18-7-3-8-19(16-18)26-15-4-10-21(25)23-12-5-13-24-14-11-17-6-1-2-9-20(17)24/h1-3,6-9,11,14,16H,4-5,10,12-13,15H2,(H,23,25)
InChIKeyHQIQWNJGBIALRN-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.15
Rot. Bonds9

About 4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide

4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide (PubChem CID 52715106) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide
PubChem CID52715106
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide
SMILESO=C(CCCOc1cccc(F)c1)NCCCn1ccc2ccccc21
InChIInChI=1S/C21H23FN2O2/c22-18-7-3-8-19(16-18)26-15-4-10-21(25)23-12-5-13-24-14-11-17-6-1-2-9-20(17)24/h1-3,6-9,11,14,16H,4-5,10,12-13,15H2,(H,23,25)
InChIKeyHQIQWNJGBIALRN-UHFFFAOYSA-N
XLogP4.15
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 51165336
4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide
CID 108750586
N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119408050
2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide
CID 51165310
4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide
CID 16614939
N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
CID 24554706
2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 17482901
4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide
CID 55349212
N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 18120698
N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide
CID 119642968

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide?
The IUPAC name of 4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide (CID 52715106) is 4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide.
What is the SMILES notation for 4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide?
The canonical SMILES for 4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide is O=C(CCCOc1cccc(F)c1)NCCCn1ccc2ccccc21.
What is the InChIKey of 4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide?
The InChIKey is HQIQWNJGBIALRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-18-7-3-8-19(16-18)26-15-4-10-21(25)23-12-5-13-24-14-11-17-6-1-2-9-20(17)24/h1-3,6-9,11,14,16H,4-5,10,12-13,15H2,(H,23,25).
What are the key properties of 4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide?
4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide has a molecular weight of 354.43 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide is sourced from PubChem (CID 52715106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).