N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]oxolane-3-carboxamide

C15H18FNO4 — CID 86850812

IUPACN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCc1cc(F)cc2c1OCOC2)C1CCOC1
InChIInChI=1S/C15H18FNO4/c16-13-5-10(14-12(6-13)8-20-9-21-14)1-3-17-15(18)11-2-4-19-7-11/h5-6,11H,1-4,7-9H2,(H,17,18)
InChIKeyQLGJBNVPSVMWRI-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.39
Rot. Bonds4

About N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]oxolane-3-carboxamide

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]oxolane-3-carboxamide (PubChem CID 86850812) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]oxolane-3-carboxamide
PubChem CID86850812
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCc1cc(F)cc2c1OCOC2)C1CCOC1
InChIInChI=1S/C15H18FNO4/c16-13-5-10(14-12(6-13)8-20-9-21-14)1-3-17-15(18)11-2-4-19-7-11/h5-6,11H,1-4,7-9H2,(H,17,18)
InChIKeyQLGJBNVPSVMWRI-UHFFFAOYSA-N
XLogP1.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]oxolane-3-carboxamide 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

2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975222
N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropanecarboxamide
CID 2811098
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 60513202
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide
CID 47180608
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55931022
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]piperidine-4-carboxamide
CID 55666096
(3R)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 94124395
(5S)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94669806
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
CID 86865764
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55841367
2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide
CID 55841999
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-propan-2-yloxypropanamide
CID 87017351

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]oxolane-3-carboxamide (CID 86850812) is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]oxolane-3-carboxamide is O=C(NCCc1cc(F)cc2c1OCOC2)C1CCOC1.
What is the InChIKey of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is QLGJBNVPSVMWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-13-5-10(14-12(6-13)8-20-9-21-14)1-3-17-15(18)11-2-4-19-7-11/h5-6,11H,1-4,7-9H2,(H,17,18).
What are the key properties of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]oxolane-3-carboxamide?
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 86850812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).