2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate

C12H13ClN2O2 — CID 175327400

IUPAC2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C12H13ClN2O2/c1-14-12(16)17-5-4-8-7-15-11-6-9(13)2-3-10(8)11/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
InChIKeyVPBXCLBIAWZAII-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.72
Rot. Bonds3

About 2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate

2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate (PubChem CID 175327400) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate
PubChem CID175327400
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C12H13ClN2O2/c1-14-12(16)17-5-4-8-7-15-11-6-9(13)2-3-10(8)11/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
InChIKeyVPBXCLBIAWZAII-UHFFFAOYSA-N
XLogP2.72
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate 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

O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine
CID 117196286
2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane
CID 145142461
6-chloro-3-(ethoxymethyl)-1H-indole
CID 117178595
2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115590337
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide
CID 113083843
N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113083858
2-(6-chloro-1H-indol-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 113209805
2-amino-2-[(6-chloro-1H-indol-3-yl)methyl]-3-oxobutanoic acid
CID 154514584
2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84700341
3-(6-chloro-1H-indol-3-yl)propanenitrile
CID 82396450
3-(bromomethyl)-6-chloro-1H-indole
CID 131288743
3-(6-chloro-1H-indol-3-yl)-2-iodopropanoic acid
CID 121353891

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate (CID 175327400) is 2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate is CNC(=O)OCCc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate?
The InChIKey is VPBXCLBIAWZAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-14-12(16)17-5-4-8-7-15-11-6-9(13)2-3-10(8)11/h2-3,6-7,15H,4-5H2,1H3,(H,14,16).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate?
2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate has a molecular weight of 252.70 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate is sourced from PubChem (CID 175327400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).