methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate

C12H13FN2O2 — CID 110731487

IUPACmethyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H13FN2O2/c1-17-12(16)14-5-4-8-7-15-11-3-2-9(13)6-10(8)11/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
InChIKeyQLEWXCOSTVNHEF-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.21
Rot. Bonds3

About methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate

methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate (PubChem CID 110731487) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
PubChem CID110731487
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Namemethyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H13FN2O2/c1-17-12(16)14-5-4-8-7-15-11-3-2-9(13)6-10(8)11/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
InChIKeyQLEWXCOSTVNHEF-UHFFFAOYSA-N
XLogP2.21
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]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-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
CID 67394852
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110731485
[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate
CID 151199307
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 110700233
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111544590
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113083594
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113083574
methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
CID 71994383

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate (CID 110731487) is methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate is COC(=O)NCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is QLEWXCOSTVNHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-17-12(16)14-5-4-8-7-15-11-3-2-9(13)6-10(8)11/h2-3,6-7,15H,4-5H2,1H3,(H,14,16).
What are the key properties of methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate?
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 236.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 110731487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).