2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide

C15H19FN2O2 — CID 75431188

IUPAC2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1CCc2cccc(F)c21)NCC1CCCO1
InChIInChI=1S/C15H19FN2O2/c16-13-5-1-3-11-6-7-18(15(11)13)10-14(19)17-9-12-4-2-8-20-12/h1,3,5,12H,2,4,6-10H2,(H,17,19)
InChIKeyAOXPVQAEKAXXBS-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.48
Rot. Bonds4

About 2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 75431188) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID75431188
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1CCc2cccc(F)c21)NCC1CCCO1
InChIInChI=1S/C15H19FN2O2/c16-13-5-1-3-11-6-7-18(15(11)13)10-14(19)17-9-12-4-2-8-20-12/h1,3,5,12H,2,4,6-10H2,(H,17,19)
InChIKeyAOXPVQAEKAXXBS-UHFFFAOYSA-N
XLogP1.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 75431188) is 2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide is O=C(CN1CCc2cccc(F)c21)NCC1CCCO1.
What is the InChIKey of 2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is AOXPVQAEKAXXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-13-5-1-3-11-6-7-18(15(11)13)10-14(19)17-9-12-4-2-8-20-12/h1,3,5,12H,2,4,6-10H2,(H,17,19).
What are the key properties of 2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 278.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 75431188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).