tert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate

C13H15FN2O3 — CID 155681321

IUPACtert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C(=O)Nc2c(F)cccc21
InChIInChI=1S/C13H15FN2O3/c1-13(2,3)19-12(18)16-10-7-5-4-6-8(14)9(7)15-11(10)17/h4-6,10H,1-3H3,(H,15,17)(H,16,18)
InChIKeyBXYUBMLQAUCPBB-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.34
Rot. Bonds1

About tert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate

tert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate (PubChem CID 155681321) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is tert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate
PubChem CID155681321
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Nametert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C(=O)Nc2c(F)cccc21
InChIInChI=1S/C13H15FN2O3/c1-13(2,3)19-12(18)16-10-7-5-4-6-8(14)9(7)15-11(10)17/h4-6,10H,1-3H3,(H,15,17)(H,16,18)
InChIKeyBXYUBMLQAUCPBB-UHFFFAOYSA-N
XLogP2.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate?
The IUPAC name of tert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate (CID 155681321) is tert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate is CC(C)(C)OC(=O)NC1C(=O)Nc2c(F)cccc21.
What is the InChIKey of tert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate?
The InChIKey is BXYUBMLQAUCPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-13(2,3)19-12(18)16-10-7-5-4-6-8(14)9(7)15-11(10)17/h4-6,10H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate?
tert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate has a molecular weight of 266.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate is sourced from PubChem (CID 155681321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).