tert-butyl N-[[2-(4-fluoro-1H-indol-2-yl)phenyl]methyl]carbamate

C20H21FN2O2 — CID 146189334

IUPACtert-butyl N-[[2-(4-fluoro-1H-indol-2-yl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1-c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C20H21FN2O2/c1-20(2,3)25-19(24)22-12-13-7-4-5-8-14(13)18-11-15-16(21)9-6-10-17(15)23-18/h4-11,23H,12H2,1-3H3,(H,22,24)
InChIKeyNZAXLIGVHGBXHC-UHFFFAOYSA-N
MW340.40 g/mol
LogP5.00
Rot. Bonds3

About tert-butyl N-[[2-(4-fluoro-1H-indol-2-yl)phenyl]methyl]carbamate

tert-butyl N-[[2-(4-fluoro-1H-indol-2-yl)phenyl]methyl]carbamate (PubChem CID 146189334) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is tert-butyl N-[[2-(4-fluoro-1H-indol-2-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(4-fluoro-1H-indol-2-yl)phenyl]methyl]carbamate
PubChem CID146189334
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Nametert-butyl N-[[2-(4-fluoro-1H-indol-2-yl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1-c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C20H21FN2O2/c1-20(2,3)25-19(24)22-12-13-7-4-5-8-14(13)18-11-15-16(21)9-6-10-17(15)23-18/h4-11,23H,12H2,1-3H3,(H,22,24)
InChIKeyNZAXLIGVHGBXHC-UHFFFAOYSA-N
XLogP5.00
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(4-fluoro-1H-indol-2-yl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(4-fluoro-1H-indol-2-yl)phenyl]methyl]carbamate (CID 146189334) is tert-butyl N-[[2-(4-fluoro-1H-indol-2-yl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(4-fluoro-1H-indol-2-yl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(4-fluoro-1H-indol-2-yl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccccc1-c1cc2c(F)cccc2[nH]1.
What is the InChIKey of tert-butyl N-[[2-(4-fluoro-1H-indol-2-yl)phenyl]methyl]carbamate?
The InChIKey is NZAXLIGVHGBXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-20(2,3)25-19(24)22-12-13-7-4-5-8-14(13)18-11-15-16(21)9-6-10-17(15)23-18/h4-11,23H,12H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[[2-(4-fluoro-1H-indol-2-yl)phenyl]methyl]carbamate?
tert-butyl N-[[2-(4-fluoro-1H-indol-2-yl)phenyl]methyl]carbamate has a molecular weight of 340.40 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(4-fluoro-1H-indol-2-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 146189334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).