N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C20H21ClN2O4 — CID 26663251

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(N2CCCC2=O)cc1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O4/c21-15-3-7-17(8-4-15)26-13-11-22-19(24)14-27-18-9-5-16(6-10-18)23-12-1-2-20(23)25/h3-10H,1-2,11-14H2,(H,22,24)
InChIKeyGIKSPAFEIHNAPC-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.04
Rot. Bonds8

About N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 26663251) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID26663251
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(N2CCCC2=O)cc1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O4/c21-15-3-7-17(8-4-15)26-13-11-22-19(24)14-27-18-9-5-16(6-10-18)23-12-1-2-20(23)25/h3-10H,1-2,11-14H2,(H,22,24)
InChIKeyGIKSPAFEIHNAPC-UHFFFAOYSA-N
XLogP3.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8581429
N-[2-(3-chlorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 27838911
(E)-N-[2-(4-chlorophenoxy)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26126122
N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685980
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 18200509
N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 75393801
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]acetamide
CID 113101452
N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9297806
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9297692
[2-oxo-2-(pentylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 38901895
N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 112815547
N-(3-methylbutan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51228621

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 26663251) is N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is O=C(COc1ccc(N2CCCC2=O)cc1)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is GIKSPAFEIHNAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c21-15-3-7-17(8-4-15)26-13-11-22-19(24)14-27-18-9-5-16(6-10-18)23-12-1-2-20(23)25/h3-10H,1-2,11-14H2,(H,22,24).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 388.85 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 26663251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).