2-(2,6-dichlorophenoxy)ethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate

C19H15Cl2NO5 — CID 7204645

IUPAC2-(2,6-dichlorophenoxy)ethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESO=C(OCCOc1c(Cl)cccc1Cl)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C19H15Cl2NO5/c20-14-5-2-6-15(21)18(14)26-9-10-27-19(25)12-3-1-4-13(11-12)22-16(23)7-8-17(22)24/h1-6,11H,7-10H2
InChIKeyCOVZEBHFVXSZGM-UHFFFAOYSA-N
MW408.24 g/mol
LogP3.88
Rot. Bonds6

About 2-(2,6-dichlorophenoxy)ethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate

2-(2,6-dichlorophenoxy)ethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate (PubChem CID 7204645) has the molecular formula C19H15Cl2NO5 and a molecular weight of 408.24 g/mol. Its IUPAC name is 2-(2,6-dichlorophenoxy)ethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name2-(2,6-dichlorophenoxy)ethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
PubChem CID7204645
Molecular FormulaC19H15Cl2NO5
Molecular Weight408.24 g/mol
Exact Mass407.03
IUPAC Name2-(2,6-dichlorophenoxy)ethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESO=C(OCCOc1c(Cl)cccc1Cl)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C19H15Cl2NO5/c20-14-5-2-6-15(21)18(14)26-9-10-27-19(25)12-3-1-4-13(11-12)22-16(23)7-8-17(22)24/h1-6,11H,7-10H2
InChIKeyCOVZEBHFVXSZGM-UHFFFAOYSA-N
XLogP3.88
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-thiophen-2-ylethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 51096159
[2-(benzylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204712
[2-(methylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204522
2-(2,6-dichlorophenoxy)ethyl 1,3-benzodioxole-5-carboxylate
CID 8012704
[(E)-3-phenylprop-2-enyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204640
(3-bromophenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 55307116
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204495
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204692
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204437
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 34651691
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8808618
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8808595

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenoxy)ethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate?
The IUPAC name of 2-(2,6-dichlorophenoxy)ethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate (CID 7204645) is 2-(2,6-dichlorophenoxy)ethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for 2-(2,6-dichlorophenoxy)ethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate?
The canonical SMILES for 2-(2,6-dichlorophenoxy)ethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate is O=C(OCCOc1c(Cl)cccc1Cl)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of 2-(2,6-dichlorophenoxy)ethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate?
The InChIKey is COVZEBHFVXSZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO5/c20-14-5-2-6-15(21)18(14)26-9-10-27-19(25)12-3-1-4-13(11-12)22-16(23)7-8-17(22)24/h1-6,11H,7-10H2.
What are the key properties of 2-(2,6-dichlorophenoxy)ethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate?
2-(2,6-dichlorophenoxy)ethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate has a molecular weight of 408.24 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenoxy)ethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 7204645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).