tert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate

C15H19FN2O2 — CID 145002119

IUPACtert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate
SMILESCc1c[nH]c2ccc(CNC(=O)OC(C)(C)C)c(F)c12
InChIInChI=1S/C15H19FN2O2/c1-9-7-17-11-6-5-10(13(16)12(9)11)8-18-14(19)20-15(2,3)4/h5-7,17H,8H2,1-4H3,(H,18,19)
InChIKeyFGCDRTBUNNPDCS-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.64
Rot. Bonds2

About tert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate

tert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate (PubChem CID 145002119) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is tert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate
PubChem CID145002119
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Nametert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate
SMILESCc1c[nH]c2ccc(CNC(=O)OC(C)(C)C)c(F)c12
InChIInChI=1S/C15H19FN2O2/c1-9-7-17-11-6-5-10(13(16)12(9)11)8-18-14(19)20-15(2,3)4/h5-7,17H,8H2,1-4H3,(H,18,19)
InChIKeyFGCDRTBUNNPDCS-UHFFFAOYSA-N
XLogP3.64
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(4-fluoro-2-methylphenyl)methyl]carbamate
CID 59483479
2,6-difluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 83410744
tert-butyl N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbamate
CID 86617534
tert-butyl N-[(2-fluoro-4-methylphenyl)methyl]carbamate
CID 158865202
tert-butyl N-[(5-chloro-1H-indol-3-yl)methyl]carbamate
CID 71299888
tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 102545706
tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate
CID 136664415
tert-butyl N-[(4-ethynyl-2-methylphenyl)methyl]carbamate
CID 166459968
tert-butyl N-[2-(9-methyl-7-oxo-3H-pyrano[3,2-e]indol-1-yl)ethyl]carbamate
CID 71484755
methyl 2-chloro-6-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
CID 89467468
tert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate
CID 168946781
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
CID 71089085

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate (CID 145002119) is tert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate is Cc1c[nH]c2ccc(CNC(=O)OC(C)(C)C)c(F)c12.
What is the InChIKey of tert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate?
The InChIKey is FGCDRTBUNNPDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-9-7-17-11-6-5-10(13(16)12(9)11)8-18-14(19)20-15(2,3)4/h5-7,17H,8H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate?
tert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate has a molecular weight of 278.33 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate is sourced from PubChem (CID 145002119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).