(7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone

C13H14FN3O — CID 70686223

IUPAC(7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone
SMILESCNC1CN(C(=O)c2cc3cccc(F)c3[nH]2)C1
InChIInChI=1S/C13H14FN3O/c1-15-9-6-17(7-9)13(18)11-5-8-3-2-4-10(14)12(8)16-11/h2-5,9,15-16H,6-7H2,1H3
InChIKeyLSGVAKKNJFZGQD-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.35
Rot. Bonds2

About (7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone

(7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone (PubChem CID 70686223) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is (7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone
PubChem CID70686223
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name(7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone
SMILESCNC1CN(C(=O)c2cc3cccc(F)c3[nH]2)C1
InChIInChI=1S/C13H14FN3O/c1-15-9-6-17(7-9)13(18)11-5-8-3-2-4-10(14)12(8)16-11/h2-5,9,15-16H,6-7H2,1H3
InChIKeyLSGVAKKNJFZGQD-UHFFFAOYSA-N
XLogP1.35
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone?
The IUPAC name of (7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone (CID 70686223) is (7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone?
The canonical SMILES for (7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone is CNC1CN(C(=O)c2cc3cccc(F)c3[nH]2)C1.
What is the InChIKey of (7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone?
The InChIKey is LSGVAKKNJFZGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-15-9-6-17(7-9)13(18)11-5-8-3-2-4-10(14)12(8)16-11/h2-5,9,15-16H,6-7H2,1H3.
What are the key properties of (7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone?
(7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone has a molecular weight of 247.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 70686223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).