[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate

C20H18ClNO5 — CID 8738366

IUPAC[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H18ClNO5/c1-26-18-8-7-14(21)11-16(18)20(25)27-12-17(23)13-4-2-5-15(10-13)22-9-3-6-19(22)24/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3
InChIKeyHTRWLEPOFQFGPO-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.52
Rot. Bonds6

About [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate (PubChem CID 8738366) has the molecular formula C20H18ClNO5 and a molecular weight of 387.82 g/mol. Its IUPAC name is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate
PubChem CID8738366
Molecular FormulaC20H18ClNO5
Molecular Weight387.82 g/mol
Exact Mass387.09
IUPAC Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H18ClNO5/c1-26-18-8-7-14(21)11-16(18)20(25)27-12-17(23)13-4-2-5-15(10-13)22-9-3-6-19(22)24/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3
InChIKeyHTRWLEPOFQFGPO-UHFFFAOYSA-N
XLogP3.52
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727594
[2-(3-fluorophenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8678174
(2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate
CID 7291387
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8739326
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methoxy-5-methylbenzoate
CID 36707531
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728166
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2-fluorophenyl)acetate
CID 8958198
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8953376
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 9382212
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728852
3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 34253914

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate?
The IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate (CID 8738366) is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate?
The canonical SMILES for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate is COc1ccc(Cl)cc1C(=O)OCC(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate?
The InChIKey is HTRWLEPOFQFGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO5/c1-26-18-8-7-14(21)11-16(18)20(25)27-12-17(23)13-4-2-5-15(10-13)22-9-3-6-19(22)24/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3.
What are the key properties of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate?
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate has a molecular weight of 387.82 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate is sourced from PubChem (CID 8738366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).