methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate

C12H13BrN2O2 — CID 25058616

IUPACmethyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1c[nH]c2c(Br)cccc12
InChIInChI=1S/C12H13BrN2O2/c1-17-12(16)14-6-5-8-7-15-11-9(8)3-2-4-10(11)13/h2-4,7,15H,5-6H2,1H3,(H,14,16)
InChIKeyPJKJNOPZIXZKAO-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.83
Rot. Bonds3

About methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate

methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate (PubChem CID 25058616) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate
PubChem CID25058616
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Namemethyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1c[nH]c2c(Br)cccc12
InChIInChI=1S/C12H13BrN2O2/c1-17-12(16)14-6-5-8-7-15-11-9(8)3-2-4-10(11)13/h2-4,7,15H,5-6H2,1H3,(H,14,16)
InChIKeyPJKJNOPZIXZKAO-UHFFFAOYSA-N
XLogP2.83
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
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3-(7-bromo-1H-indol-3-yl)propanenitrile
CID 76846698
3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide
CID 102122525
(2S)-2-acetamido-3-(7-bromo-1H-indol-3-yl)propanoic acid
CID 11336314
[(2S)-3-(7-bromo-1H-indol-3-yl)-1-ethoxy-1-oxopropan-2-yl]azanium bromide
CID 160805144
1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111507161
1-(7-bromo-1H-indol-3-yl)butan-1-one
CID 175665969
N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide
CID 563604
1-(7-bromo-1H-indol-3-yl)-2-chloroethanone
CID 28806672
methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
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CID 119779419

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate (CID 25058616) is methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate is COC(=O)NCCc1c[nH]c2c(Br)cccc12.
What is the InChIKey of methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is PJKJNOPZIXZKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-17-12(16)14-6-5-8-7-15-11-9(8)3-2-4-10(11)13/h2-4,7,15H,5-6H2,1H3,(H,14,16).
What are the key properties of methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate?
methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 297.15 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 25058616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).