tert-butyl N-[2-(6-chloro-1H-indol-2-yl)ethyl]carbamate

C15H19ClN2O2 — CID 56990740

IUPACtert-butyl N-[2-(6-chloro-1H-indol-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H19ClN2O2/c1-15(2,3)20-14(19)17-7-6-12-8-10-4-5-11(16)9-13(10)18-12/h4-5,8-9,18H,6-7H2,1-3H3,(H,17,19)
InChIKeyLACOPIPXZMCOJO-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.89
Rot. Bonds3

About tert-butyl N-[2-(6-chloro-1H-indol-2-yl)ethyl]carbamate

tert-butyl N-[2-(6-chloro-1H-indol-2-yl)ethyl]carbamate (PubChem CID 56990740) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is tert-butyl N-[2-(6-chloro-1H-indol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-chloro-1H-indol-2-yl)ethyl]carbamate
PubChem CID56990740
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Nametert-butyl N-[2-(6-chloro-1H-indol-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H19ClN2O2/c1-15(2,3)20-14(19)17-7-6-12-8-10-4-5-11(16)9-13(10)18-12/h4-5,8-9,18H,6-7H2,1-3H3,(H,17,19)
InChIKeyLACOPIPXZMCOJO-UHFFFAOYSA-N
XLogP3.89
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-2-methyl-1h-indole
CID 271553
methyl [(5-chloro-1H-indol-2-yl)methyl]carbamate
CID 1245948
ethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate
CID 4588656
3-[2-(4-Chloro-phenyl)-1H-indol-3-yl]-N,N-dipropyl-acrylamide
CID 10474935
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
1,3-Propanediamine, N'-((2-(4-chlorophenyl)-1H-indol-3-yl)methyl)-N,N-dimethyl-
CID 3040468
6-Chloroindole-2-boronic acid, pinacol ester
CID 53217210
N-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]acetamide
CID 4715062
methyl N-[2-[2-[C-(4-chlorophenyl)-N-methylcarbonimidoyl]-1H-indol-3-yl]ethyl]carbamate
CID 155517000
3-[(6-chloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione
CID 162659445

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-chloro-1H-indol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6-chloro-1H-indol-2-yl)ethyl]carbamate (CID 56990740) is tert-butyl N-[2-(6-chloro-1H-indol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6-chloro-1H-indol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6-chloro-1H-indol-2-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of tert-butyl N-[2-(6-chloro-1H-indol-2-yl)ethyl]carbamate?
The InChIKey is LACOPIPXZMCOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-15(2,3)20-14(19)17-7-6-12-8-10-4-5-11(16)9-13(10)18-12/h4-5,8-9,18H,6-7H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(6-chloro-1H-indol-2-yl)ethyl]carbamate?
tert-butyl N-[2-(6-chloro-1H-indol-2-yl)ethyl]carbamate has a molecular weight of 294.78 g/mol, XLogP of 3.89, 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-(6-chloro-1H-indol-2-yl)ethyl]carbamate is sourced from PubChem (CID 56990740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).