azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone

C15H16FNO2 — CID 176932104

IUPACazetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone
SMILESCC(C)c1ccc2oc(C(=O)N3CCC3)cc2c1F
InChIInChI=1S/C15H16FNO2/c1-9(2)10-4-5-12-11(14(10)16)8-13(19-12)15(18)17-6-3-7-17/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyYZIVCGVDAMYNLI-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.54
Rot. Bonds2

About azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone

azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone (PubChem CID 176932104) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone
PubChem CID176932104
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Nameazetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone
SMILESCC(C)c1ccc2oc(C(=O)N3CCC3)cc2c1F
InChIInChI=1S/C15H16FNO2/c1-9(2)10-4-5-12-11(14(10)16)8-13(19-12)15(18)17-6-3-7-17/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyYZIVCGVDAMYNLI-UHFFFAOYSA-N
XLogP3.54
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-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 azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone?
The IUPAC name of azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone (CID 176932104) is azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone?
The canonical SMILES for azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone is CC(C)c1ccc2oc(C(=O)N3CCC3)cc2c1F.
What is the InChIKey of azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone?
The InChIKey is YZIVCGVDAMYNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-9(2)10-4-5-12-11(14(10)16)8-13(19-12)15(18)17-6-3-7-17/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone?
azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone has a molecular weight of 261.30 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 176932104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).