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

C15H20FNO3 — CID 47180608

IUPACN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C15H20FNO3/c1-15(2,3)14(18)17-5-4-10-6-12(16)7-11-8-19-9-20-13(10)11/h6-7H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyBJFUPOVUVPYLAL-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.40
Rot. Bonds3

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

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 47180608) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID47180608
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C15H20FNO3/c1-15(2,3)14(18)17-5-4-10-6-12(16)7-11-8-19-9-20-13(10)11/h6-7H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyBJFUPOVUVPYLAL-UHFFFAOYSA-N
XLogP2.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide (CID 47180608) is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCc1cc(F)cc2c1OCOC2.
What is the InChIKey of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is BJFUPOVUVPYLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-15(2,3)14(18)17-5-4-10-6-12(16)7-11-8-19-9-20-13(10)11/h6-7H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide?
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 281.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 47180608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).