tert-butyl N-[2-tert-butyl-1-(4-fluorophenyl)indol-4-yl]carbamate

C23H27FN2O2 — CID 166780300

IUPACtert-butyl N-[2-tert-butyl-1-(4-fluorophenyl)indol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc2c1cc(C(C)(C)C)n2-c1ccc(F)cc1
InChIInChI=1S/C23H27FN2O2/c1-22(2,3)20-14-17-18(25-21(27)28-23(4,5)6)8-7-9-19(17)26(20)16-12-10-15(24)11-13-16/h7-14H,1-6H3,(H,25,27)
InChIKeyYTPOOOXBFNYQOY-UHFFFAOYSA-N
MW382.48 g/mol
LogP6.41
Rot. Bonds2

About tert-butyl N-[2-tert-butyl-1-(4-fluorophenyl)indol-4-yl]carbamate

tert-butyl N-[2-tert-butyl-1-(4-fluorophenyl)indol-4-yl]carbamate (PubChem CID 166780300) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is tert-butyl N-[2-tert-butyl-1-(4-fluorophenyl)indol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-tert-butyl-1-(4-fluorophenyl)indol-4-yl]carbamate
PubChem CID166780300
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Nametert-butyl N-[2-tert-butyl-1-(4-fluorophenyl)indol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc2c1cc(C(C)(C)C)n2-c1ccc(F)cc1
InChIInChI=1S/C23H27FN2O2/c1-22(2,3)20-14-17-18(25-21(27)28-23(4,5)6)8-7-9-19(17)26(20)16-12-10-15(24)11-13-16/h7-14H,1-6H3,(H,25,27)
InChIKeyYTPOOOXBFNYQOY-UHFFFAOYSA-N
XLogP6.41
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.48
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]acridin-3-yl]carbamate
CID 18452886
tert-butyl 2-[4-(cyanomethyl)phenyl]-1H-indole-1-carboxylate
CID 25190804
tert-butyl 2-[4-(2-cyanoethyl)phenyl]-1H-indole-1-carboxylate
CID 25190805
tert-butyl 2-[4-(2-carbamoylethyl)phenyl]-1H-indole-1-carboxylate
CID 25190809
tert-butyl 2-{4-[2-(methylcarbamoyl)ethyl]phenyl}-1H-indole-1-carboxylate
CID 25190811
tert-butyl 2-[4-(aminomethyl)phenyl]-1H-indole-1-carboxylate
CID 25190803
tert-butyl 2-{4-[(1E)-2-carbamoyleth-1-en-1-yl]phenyl}-1H-indole-1-carboxylate
CID 25190810
tert-butyl 2-{4-[2-(phenylcarbamoyl)ethyl]phenyl}-1H-indole-1-carboxylate
CID 25190813
methyl N-[2-[2-[C-(2,6-difluorophenyl)-N-methylcarbonimidoyl]-1H-indol-3-yl]ethyl]carbamate
CID 155568920
tert-Butyl 2-phenyl-1H-indole-1-carboxylate
CID 11098366
ethyl 8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
CID 12629899
Tert-butyl 5-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-2-(3,5-dimethylphenyl)indole-1-carboxylate
CID 25101372

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-tert-butyl-1-(4-fluorophenyl)indol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[2-tert-butyl-1-(4-fluorophenyl)indol-4-yl]carbamate (CID 166780300) is tert-butyl N-[2-tert-butyl-1-(4-fluorophenyl)indol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-tert-butyl-1-(4-fluorophenyl)indol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-tert-butyl-1-(4-fluorophenyl)indol-4-yl]carbamate is CC(C)(C)OC(=O)Nc1cccc2c1cc(C(C)(C)C)n2-c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[2-tert-butyl-1-(4-fluorophenyl)indol-4-yl]carbamate?
The InChIKey is YTPOOOXBFNYQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-22(2,3)20-14-17-18(25-21(27)28-23(4,5)6)8-7-9-19(17)26(20)16-12-10-15(24)11-13-16/h7-14H,1-6H3,(H,25,27).
What are the key properties of tert-butyl N-[2-tert-butyl-1-(4-fluorophenyl)indol-4-yl]carbamate?
tert-butyl N-[2-tert-butyl-1-(4-fluorophenyl)indol-4-yl]carbamate has a molecular weight of 382.48 g/mol, XLogP of 6.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-tert-butyl-1-(4-fluorophenyl)indol-4-yl]carbamate is sourced from PubChem (CID 166780300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).