N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide

C17H16FNO4 — CID 18133884

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide
SMILESCC(NC(=O)COc1ccccc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H16FNO4/c1-11(12-6-7-15-16(8-12)23-10-22-15)19-17(20)9-21-14-5-3-2-4-13(14)18/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyYMJBNKQEZMQIOL-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.81
Rot. Bonds5

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 18133884) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide
PubChem CID18133884
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide
SMILESCC(NC(=O)COc1ccccc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H16FNO4/c1-11(12-6-7-15-16(8-12)23-10-22-15)19-17(20)9-21-14-5-3-2-4-13(14)18/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyYMJBNKQEZMQIOL-UHFFFAOYSA-N
XLogP2.81
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 51140353
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-bromo-4-fluorophenoxy)acetamide
CID 18143447
2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide
CID 7981027
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 45015101
2-(2-fluorophenoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9395568
2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide
CID 24578747
[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318596
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 92540665
2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide
CID 7763941
2-(2-fluorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 42563585

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide (CID 18133884) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide is CC(NC(=O)COc1ccccc1F)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is YMJBNKQEZMQIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-11(12-6-7-15-16(8-12)23-10-22-15)19-17(20)9-21-14-5-3-2-4-13(14)18/h2-8,11H,9-10H2,1H3,(H,19,20).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 317.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 18133884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).