6-Fluoromelatonin

HCID 43922

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Basic information

CAS: 62106-00-7
Standard SMILES: COc1cc2c(CCNC(C)=O)c[nH]c2cc1F
InChIKey: BTTITVUHHXXLFM-UHFFFAOYSA-N
Molecular formula: C13H15FN2O2
Average molar mass: 250.27 g/mol
Monoisotopic mass: 250.11175589

Names & identifiers

Preferred name: 6-Fluoromelatonin
IUPAC: N-[2-(6-fluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
English name: 6-fluoromelatonin
Molecular formula: C13H15FN2O2
Molecular weight: 250.27

Names & synonyms

6-Fluoromelatonin62106-00-7N-[2-(6-fluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamideN-(2-(6-Fluoro-5-methoxy-1H-indol-3-yl)ethyl)acetamideDTXSID10211165RefChem:104648DTXCID10133656CHEMBL333886SCHEMBL1772618BTTITVUHHXXLFM-UHFFFAOYSA-NACETAMIDE, N-(2-(6-FLUORO-5-METHOXY-1H-INDOL-3-YL)ETHYL)-BDBM50330858

Show more names

Acetamide, N-[2-(6-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-

PD182915N-[2-(5-methoxy-6-fluoroindol-3-yl)ethyl]acetamideN-[2-(6-Fluoro-5-methoxy-1H-indol-3-yl)-ethyl]-acetamide

Database identifiers

CAS: 62106-00-7
PubChem CID: 43922
DTXSID: DTXSID10211165
ChEMBL: CHEMBL333886
Nikkaji: J74.888I

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 54.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 301

Related reactions

2 records

New reaction record

HRID 371683As productuspto-grants-1978_05

HRID 836319As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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