N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide

C18H18FNO4 — CID 51144843

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide
SMILESCN(CC1COc2ccccc2O1)C(=O)COc1cccc(F)c1
InChIInChI=1S/C18H18FNO4/c1-20(18(21)12-22-14-6-4-5-13(19)9-14)10-15-11-23-16-7-2-3-8-17(16)24-15/h2-9,15H,10-12H2,1H3
InChIKeyRWSHCLDRZQSVHI-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.50
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide (PubChem CID 51144843) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide
PubChem CID51144843
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide
SMILESCN(CC1COc2ccccc2O1)C(=O)COc1cccc(F)c1
InChIInChI=1S/C18H18FNO4/c1-20(18(21)12-22-14-6-4-5-13(19)9-14)10-15-11-23-16-7-2-3-8-17(16)24-15/h2-9,15H,10-12H2,1H3
InChIKeyRWSHCLDRZQSVHI-UHFFFAOYSA-N
XLogP2.50
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide (CID 51144843) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide is CN(CC1COc2ccccc2O1)C(=O)COc1cccc(F)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide?
The InChIKey is RWSHCLDRZQSVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-20(18(21)12-22-14-6-4-5-13(19)9-14)10-15-11-23-16-7-2-3-8-17(16)24-15/h2-9,15H,10-12H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide has a molecular weight of 331.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide is sourced from PubChem (CID 51144843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).