4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide

C20H20FN3O2 — CID 51165310

IUPAC4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NCCCn1ccc2ccccc21
InChIInChI=1S/C20H20FN3O2/c21-17-8-6-16(7-9-17)20(26)23-14-19(25)22-11-3-12-24-13-10-15-4-1-2-5-18(15)24/h1-2,4-10,13H,3,11-12,14H2,(H,22,25)(H,23,26)
InChIKeyZOSGFJXCOSJDBQ-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.72
Rot. Bonds7

About 4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide

4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide (PubChem CID 51165310) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide
PubChem CID51165310
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NCCCn1ccc2ccccc21
InChIInChI=1S/C20H20FN3O2/c21-17-8-6-16(7-9-17)20(26)23-14-19(25)22-11-3-12-24-13-10-15-4-1-2-5-18(15)24/h1-2,4-10,13H,3,11-12,14H2,(H,22,25)(H,23,26)
InChIKeyZOSGFJXCOSJDBQ-UHFFFAOYSA-N
XLogP2.72
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide
CID 51165309
2-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 51165336
2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55567338
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 2489290
(2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide
CID 124727193
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide
CID 55349212
N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111341750
N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide
CID 60567233

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide (CID 51165310) is 4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1)NCCCn1ccc2ccccc21.
What is the InChIKey of 4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide?
The InChIKey is ZOSGFJXCOSJDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-17-8-6-16(7-9-17)20(26)23-14-19(25)22-11-3-12-24-13-10-15-4-1-2-5-18(15)24/h1-2,4-10,13H,3,11-12,14H2,(H,22,25)(H,23,26).
What are the key properties of 4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide?
4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide has a molecular weight of 353.40 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 51165310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).