2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide

C17H16FN3O — CID 71708934

IUPAC2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(Cn1ccc2ccc(F)cc21)NCCc1ccccn1
InChIInChI=1S/C17H16FN3O/c18-14-5-4-13-7-10-21(16(13)11-14)12-17(22)20-9-6-15-3-1-2-8-19-15/h1-5,7-8,10-11H,6,9,12H2,(H,20,22)
InChIKeyAIPUSZYEUJFDEA-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.53
Rot. Bonds5

About 2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide

2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 71708934) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID71708934
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(Cn1ccc2ccc(F)cc21)NCCc1ccccn1
InChIInChI=1S/C17H16FN3O/c18-14-5-4-13-7-10-21(16(13)11-14)12-17(22)20-9-6-15-3-1-2-8-19-15/h1-5,7-8,10-11H,6,9,12H2,(H,20,22)
InChIKeyAIPUSZYEUJFDEA-UHFFFAOYSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide (CID 71708934) is 2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide is O=C(Cn1ccc2ccc(F)cc21)NCCc1ccccn1.
What is the InChIKey of 2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is AIPUSZYEUJFDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c18-14-5-4-13-7-10-21(16(13)11-14)12-17(22)20-9-6-15-3-1-2-8-19-15/h1-5,7-8,10-11H,6,9,12H2,(H,20,22).
What are the key properties of 2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide?
2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 297.33 g/mol, XLogP of 2.53, 5 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-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 71708934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).