tert-butyl N-(6-bromo-1H-indol-2-yl)carbamate

C13H15BrN2O2 — CID 155039795

IUPACtert-butyl N-(6-bromo-1H-indol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C13H15BrN2O2/c1-13(2,3)18-12(17)16-11-6-8-4-5-9(14)7-10(8)15-11/h4-7,15H,1-3H3,(H,16,17)
InChIKeyJNQTZZBVOZNXRM-UHFFFAOYSA-N
MW311.18 g/mol
LogP4.28
Rot. Bonds1

About tert-butyl N-(6-bromo-1H-indol-2-yl)carbamate

tert-butyl N-(6-bromo-1H-indol-2-yl)carbamate (PubChem CID 155039795) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is tert-butyl N-(6-bromo-1H-indol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-bromo-1H-indol-2-yl)carbamate
PubChem CID155039795
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Nametert-butyl N-(6-bromo-1H-indol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C13H15BrN2O2/c1-13(2,3)18-12(17)16-11-6-8-4-5-9(14)7-10(8)15-11/h4-7,15H,1-3H3,(H,16,17)
InChIKeyJNQTZZBVOZNXRM-UHFFFAOYSA-N
XLogP4.28
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-(6-bromo-1H-indol-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
tert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate
CID 162527661
tert-butyl N-(4-bromo-2-nitrosophenyl)carbamate
CID 147354820
tert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate
CID 164517252
tert-butyl N-(5-bromo-2-methoxyphenyl)carbamate;propane
CID 144536105
tert-butyl N-[1-(6-bromo-1H-benzimidazol-2-yl)-3,3-dimethylbutyl]carbamate
CID 178001622
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-[(1R,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxypropyl]carbamate
CID 86699027
4-bromoaniline;tert-butyl N-(4-bromophenyl)carbamate
CID 158972622
CID 175713115
CID 175713115
tert-butyl N-(7-bromoquinolin-4-yl)carbamate
CID 71742953
chloro N-(1H-indol-2-yl)carbamate
CID 174677081

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-bromo-1H-indol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(6-bromo-1H-indol-2-yl)carbamate (CID 155039795) is tert-butyl N-(6-bromo-1H-indol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-bromo-1H-indol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-bromo-1H-indol-2-yl)carbamate is CC(C)(C)OC(=O)Nc1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of tert-butyl N-(6-bromo-1H-indol-2-yl)carbamate?
The InChIKey is JNQTZZBVOZNXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-13(2,3)18-12(17)16-11-6-8-4-5-9(14)7-10(8)15-11/h4-7,15H,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(6-bromo-1H-indol-2-yl)carbamate?
tert-butyl N-(6-bromo-1H-indol-2-yl)carbamate has a molecular weight of 311.18 g/mol, XLogP of 4.28, 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-bromo-1H-indol-2-yl)carbamate is sourced from PubChem (CID 155039795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).