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

C22H23FN2O5 — CID 55842518

IUPACN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(N2CCCC2=O)cc1)NCCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C22H23FN2O5/c23-17-10-15(22-16(11-17)12-28-14-30-22)7-8-24-20(26)13-29-19-5-3-18(4-6-19)25-9-1-2-21(25)27/h3-6,10-11H,1-2,7-9,12-14H2,(H,24,26)
InChIKeyDWVWZZHWLOQLJG-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.56
Rot. Bonds7

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

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 55842518) has the molecular formula C22H23FN2O5 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID55842518
Molecular FormulaC22H23FN2O5
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(N2CCCC2=O)cc1)NCCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C22H23FN2O5/c23-17-10-15(22-16(11-17)12-28-14-30-22)7-8-24-20(26)13-29-19-5-3-18(4-6-19)25-9-1-2-21(25)27/h3-6,10-11H,1-2,7-9,12-14H2,(H,24,26)
InChIKeyDWVWZZHWLOQLJG-UHFFFAOYSA-N
XLogP2.56
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide 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

(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate
CID 9476010
N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 112815547
(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 9477254
N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685980
N-[2-(3-chlorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 27838911
N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26663251
N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 75393801
N'-(4-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetohydrazide
CID 71901454
N-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
CID 119618575
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-propan-2-yloxypropanamide
CID 87017351
3-(4-chlorophenyl)sulfanyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide
CID 60547529
1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111276989

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 55842518) is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is O=C(COc1ccc(N2CCCC2=O)cc1)NCCc1cc(F)cc2c1OCOC2.
What is the InChIKey of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is DWVWZZHWLOQLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O5/c23-17-10-15(22-16(11-17)12-28-14-30-22)7-8-24-20(26)13-29-19-5-3-18(4-6-19)25-9-1-2-21(25)27/h3-6,10-11H,1-2,7-9,12-14H2,(H,24,26).
What are the key properties of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 414.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 55842518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).