2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide

C21H20FN3O — CID 166330830

IUPAC2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
SMILESO=C(Cn1ccc2ccc(F)cc21)NCCCn1ccc2ccccc21
InChIInChI=1S/C21H20FN3O/c22-18-7-6-17-9-13-25(20(17)14-18)15-21(26)23-10-3-11-24-12-8-16-4-1-2-5-19(16)24/h1-2,4-9,12-14H,3,10-11,15H2,(H,23,26)
InChIKeyMCUPCGIAUPCLKQ-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.94
Rot. Bonds6

About 2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide

2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide (PubChem CID 166330830) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
PubChem CID166330830
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
SMILESO=C(Cn1ccc2ccc(F)cc21)NCCCn1ccc2ccccc21
InChIInChI=1S/C21H20FN3O/c22-18-7-6-17-9-13-25(20(17)14-18)15-21(26)23-10-3-11-24-12-8-16-4-1-2-5-19(16)24/h1-2,4-9,12-14H,3,10-11,15H2,(H,23,26)
InChIKeyMCUPCGIAUPCLKQ-UHFFFAOYSA-N
XLogP3.94
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 51165336
N-benzyl-2-(6-fluoroindol-1-yl)acetamide
CID 116619757
4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide
CID 51165310
2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 71708934
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide
CID 52715106
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide
CID 71703907
7-[(2-indol-1-ylacetyl)amino]heptanoic acid
CID 119227491
2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 63850800
3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine
CID 62564082
(2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide
CID 124727193
N-(2-amino-5-fluorophenyl)-2-indol-1-ylacetamide
CID 43611958

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide?
The IUPAC name of 2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide (CID 166330830) is 2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide is O=C(Cn1ccc2ccc(F)cc21)NCCCn1ccc2ccccc21.
What is the InChIKey of 2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide?
The InChIKey is MCUPCGIAUPCLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-18-7-6-17-9-13-25(20(17)14-18)15-21(26)23-10-3-11-24-12-8-16-4-1-2-5-19(16)24/h1-2,4-9,12-14H,3,10-11,15H2,(H,23,26).
What are the key properties of 2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide?
2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide has a molecular weight of 349.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide is sourced from PubChem (CID 166330830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).