tert-butyl N-(6-chloro-7-fluoro-1H-indol-4-yl)carbamate

C13H14ClFN2O2 — CID 170426895

IUPACtert-butyl N-(6-chloro-7-fluoro-1H-indol-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)c(F)c2[nH]ccc12
InChIInChI=1S/C13H14ClFN2O2/c1-13(2,3)19-12(18)17-9-6-8(14)10(15)11-7(9)4-5-16-11/h4-6,16H,1-3H3,(H,17,18)
InChIKeyQDZMXRWJYGJBEN-UHFFFAOYSA-N
MW284.72 g/mol
LogP4.31
Rot. Bonds1

About tert-butyl N-(6-chloro-7-fluoro-1H-indol-4-yl)carbamate

tert-butyl N-(6-chloro-7-fluoro-1H-indol-4-yl)carbamate (PubChem CID 170426895) has the molecular formula C13H14ClFN2O2 and a molecular weight of 284.72 g/mol. Its IUPAC name is tert-butyl N-(6-chloro-7-fluoro-1H-indol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-chloro-7-fluoro-1H-indol-4-yl)carbamate
PubChem CID170426895
Molecular FormulaC13H14ClFN2O2
Molecular Weight284.72 g/mol
Exact Mass284.07
IUPAC Nametert-butyl N-(6-chloro-7-fluoro-1H-indol-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)c(F)c2[nH]ccc12
InChIInChI=1S/C13H14ClFN2O2/c1-13(2,3)19-12(18)17-9-6-8(14)10(15)11-7(9)4-5-16-11/h4-6,16H,1-3H3,(H,17,18)
InChIKeyQDZMXRWJYGJBEN-UHFFFAOYSA-N
XLogP4.31
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-1H-indol-4-ylurea
CID 24768220
6-Chloro-5-fluoro-1H-indole
CID 2773648
6-chloro-7-fluoro-1H-indole
CID 22612745
1,1-Dimethylethyl N-1H-indol-3-ylcarbamate
CID 46318263
tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate
CID 54582767
tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-chloro-1H-indol-3-yl)ethyl]carbamate
CID 54584699
tert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate
CID 54585673
N-(3-chloro-4-fluorophenyl)-7-fluoro-1H-indol-4-amine
CID 162656025
(6-chloro-1H-indol-3-yl)methanamine
CID 28806277
tert-butyl N-(1H-indol-6-yl)carbamate
CID 40425153
tert-butyl (S)-(1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl)carbamate
CID 66965464
N-(2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl)-N-ethylpropan-1-amine
CID 166158204

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-chloro-7-fluoro-1H-indol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(6-chloro-7-fluoro-1H-indol-4-yl)carbamate (CID 170426895) is tert-butyl N-(6-chloro-7-fluoro-1H-indol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-chloro-7-fluoro-1H-indol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-chloro-7-fluoro-1H-indol-4-yl)carbamate is CC(C)(C)OC(=O)Nc1cc(Cl)c(F)c2[nH]ccc12.
What is the InChIKey of tert-butyl N-(6-chloro-7-fluoro-1H-indol-4-yl)carbamate?
The InChIKey is QDZMXRWJYGJBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2/c1-13(2,3)19-12(18)17-9-6-8(14)10(15)11-7(9)4-5-16-11/h4-6,16H,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-(6-chloro-7-fluoro-1H-indol-4-yl)carbamate?
tert-butyl N-(6-chloro-7-fluoro-1H-indol-4-yl)carbamate has a molecular weight of 284.72 g/mol, XLogP of 4.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-chloro-7-fluoro-1H-indol-4-yl)carbamate is sourced from PubChem (CID 170426895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).