cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole

C24H25F3N2O2 — CID 156815891

IUPACcyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
SMILESCOCC1CCN1C(=O)C1CCC1.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1
InChIInChI=1S/C14H8F3N.C10H17NO2/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;1-13-7-9-5-6-11(9)10(12)8-3-2-4-8/h1-7,18H;8-9H,2-7H2,1H3
InChIKeyKJWSOMAYAWFEHB-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.29
Rot. Bonds4

About cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole

cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole (PubChem CID 156815891) has the molecular formula C24H25F3N2O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole.

Molecular Properties

Compound Namecyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
PubChem CID156815891
Molecular FormulaC24H25F3N2O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Namecyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
SMILESCOCC1CCN1C(=O)C1CCC1.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1
InChIInChI=1S/C14H8F3N.C10H17NO2/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;1-13-7-9-5-6-11(9)10(12)8-3-2-4-8/h1-7,18H;8-9H,2-7H2,1H3
InChIKeyKJWSOMAYAWFEHB-UHFFFAOYSA-N
XLogP5.29
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole 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 cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole?
The IUPAC name of cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole (CID 156815891) is cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole.
What is the SMILES notation for cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole?
The canonical SMILES for cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole is COCC1CCN1C(=O)C1CCC1.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.
What is the InChIKey of cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole?
The InChIKey is KJWSOMAYAWFEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N.C10H17NO2/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;1-13-7-9-5-6-11(9)10(12)8-3-2-4-8/h1-7,18H;8-9H,2-7H2,1H3.
What are the key properties of cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole?
cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole has a molecular weight of 430.47 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole is sourced from PubChem (CID 156815891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).