tert-butyl N-[2-[1-(3-fluorophenyl)indol-2-yl]ethyl]carbamate

C21H23FN2O2 — CID 123463276

IUPACtert-butyl N-[2-[1-(3-fluorophenyl)indol-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cc2ccccc2n1-c1cccc(F)c1
InChIInChI=1S/C21H23FN2O2/c1-21(2,3)26-20(25)23-12-11-18-13-15-7-4-5-10-19(15)24(18)17-9-6-8-16(22)14-17/h4-10,13-14H,11-12H2,1-3H3,(H,23,25)
InChIKeyIXVGVOANFLALQD-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.84
Rot. Bonds4

About tert-butyl N-[2-[1-(3-fluorophenyl)indol-2-yl]ethyl]carbamate

tert-butyl N-[2-[1-(3-fluorophenyl)indol-2-yl]ethyl]carbamate (PubChem CID 123463276) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(3-fluorophenyl)indol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(3-fluorophenyl)indol-2-yl]ethyl]carbamate
PubChem CID123463276
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Nametert-butyl N-[2-[1-(3-fluorophenyl)indol-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cc2ccccc2n1-c1cccc(F)c1
InChIInChI=1S/C21H23FN2O2/c1-21(2,3)26-20(25)23-12-11-18-13-15-7-4-5-10-19(15)24(18)17-9-6-8-16(22)14-17/h4-10,13-14H,11-12H2,1-3H3,(H,23,25)
InChIKeyIXVGVOANFLALQD-UHFFFAOYSA-N
XLogP4.84
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(3-fluorophenyl)indol-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(3-fluorophenyl)indol-2-yl]ethyl]carbamate (CID 123463276) is tert-butyl N-[2-[1-(3-fluorophenyl)indol-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(3-fluorophenyl)indol-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(3-fluorophenyl)indol-2-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1cc2ccccc2n1-c1cccc(F)c1.
What is the InChIKey of tert-butyl N-[2-[1-(3-fluorophenyl)indol-2-yl]ethyl]carbamate?
The InChIKey is IXVGVOANFLALQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-21(2,3)26-20(25)23-12-11-18-13-15-7-4-5-10-19(15)24(18)17-9-6-8-16(22)14-17/h4-10,13-14H,11-12H2,1-3H3,(H,23,25).
What are the key properties of tert-butyl N-[2-[1-(3-fluorophenyl)indol-2-yl]ethyl]carbamate?
tert-butyl N-[2-[1-(3-fluorophenyl)indol-2-yl]ethyl]carbamate has a molecular weight of 354.43 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(3-fluorophenyl)indol-2-yl]ethyl]carbamate is sourced from PubChem (CID 123463276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).