1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one

C18H15Cl2NO3 — CID 8750865

IUPAC1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one
SMILESO=C(COc1cc(Cl)ccc1Cl)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H15Cl2NO3/c19-13-5-8-15(20)17(10-13)24-11-16(22)12-3-6-14(7-4-12)21-9-1-2-18(21)23/h3-8,10H,1-2,9,11H2
InChIKeyHXBYYVSSNFOLIL-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.38
Rot. Bonds5

About 1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one

1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one (PubChem CID 8750865) has the molecular formula C18H15Cl2NO3 and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one
PubChem CID8750865
Molecular FormulaC18H15Cl2NO3
Molecular Weight364.23 g/mol
Exact Mass363.04
IUPAC Name1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one
SMILESO=C(COc1cc(Cl)ccc1Cl)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H15Cl2NO3/c19-13-5-8-15(20)17(10-13)24-11-16(22)12-3-6-14(7-4-12)21-9-1-2-18(21)23/h3-8,10H,1-2,9,11H2
InChIKeyHXBYYVSSNFOLIL-UHFFFAOYSA-N
XLogP4.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8650952
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide
CID 24600272
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056
2-(4-chloro-2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716544
1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8880766
1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8647905
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one
CID 46610452
N-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]acetamide
CID 51139075
[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3557850
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8883095

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one (CID 8750865) is 1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one is O=C(COc1cc(Cl)ccc1Cl)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one?
The InChIKey is HXBYYVSSNFOLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO3/c19-13-5-8-15(20)17(10-13)24-11-16(22)12-3-6-14(7-4-12)21-9-1-2-18(21)23/h3-8,10H,1-2,9,11H2.
What are the key properties of 1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one?
1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one has a molecular weight of 364.23 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 8750865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).