2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide

C14H17FN2O2 — CID 63850800

IUPAC2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1ccc2cc(F)ccc21
InChIInChI=1S/C14H17FN2O2/c1-19-8-2-6-16-14(18)10-17-7-5-11-9-12(15)3-4-13(11)17/h3-5,7,9H,2,6,8,10H2,1H3,(H,16,18)
InChIKeyHOPYTFTTZQHOII-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.93
Rot. Bonds6

About 2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide

2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 63850800) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide
PubChem CID63850800
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1ccc2cc(F)ccc21
InChIInChI=1S/C14H17FN2O2/c1-19-8-2-6-16-14(18)10-17-7-5-11-9-12(15)3-4-13(11)17/h3-5,7,9H,2,6,8,10H2,1H3,(H,16,18)
InChIKeyHOPYTFTTZQHOII-UHFFFAOYSA-N
XLogP1.93
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.93
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

N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide
CID 102915716
2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 102912972
2-(4-methoxyindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 83173338
2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 100743776
2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 63850949
N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575
2-(4-ethyl-8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methoxypropyl)acetamide
CID 20885008
N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide
CID 102912501
1-[2-(3-methoxypropylamino)-2-oxoethyl]-2-methylpyrrole-3-carboxylic acid
CID 114189448
1-(5-fluoroindol-1-yl)-3-methylbutan-2-one
CID 79395580
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 102913025

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide (CID 63850800) is 2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1ccc2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide?
The InChIKey is HOPYTFTTZQHOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-19-8-2-6-16-14(18)10-17-7-5-11-9-12(15)3-4-13(11)17/h3-5,7,9H,2,6,8,10H2,1H3,(H,16,18).
What are the key properties of 2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide?
2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide has a molecular weight of 264.30 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 63850800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).