(2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate

C21H22ClNO5 — CID 2600506

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)N2CCCC2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C21H22ClNO5/c1-26-19-12-15(21(25)28-14-20(24)23-10-4-5-11-23)8-9-18(19)27-13-16-6-2-3-7-17(16)22/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3
InChIKeyAZZLDLAVVFZDGN-UHFFFAOYSA-N
MW403.86 g/mol
LogP3.71
Rot. Bonds7

About (2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate (PubChem CID 2600506) has the molecular formula C21H22ClNO5 and a molecular weight of 403.86 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
PubChem CID2600506
Molecular FormulaC21H22ClNO5
Molecular Weight403.86 g/mol
Exact Mass403.12
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)N2CCCC2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C21H22ClNO5/c1-26-19-12-15(21(25)28-14-20(24)23-10-4-5-11-23)8-9-18(19)27-13-16-6-2-3-7-17(16)22/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3
InChIKeyAZZLDLAVVFZDGN-UHFFFAOYSA-N
XLogP3.71
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.86
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2454304
[2-(2-methylpropylamino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2600417
[2-(2-methylanilino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 42964823
[2-(4-acetylanilino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2119534
(2-oxo-2-pyrrolidin-1-ylethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 2537717
(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
CID 16501974
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 8012097
[2-(2-cyanoethylamino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 42984687
3-cyanopropyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 24530110
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
(2-oxo-2-piperidin-1-ylethyl) 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate
CID 16509356
[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 16516084

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate (CID 2600506) is (2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate is COc1cc(C(=O)OCC(=O)N2CCCC2)ccc1OCc1ccccc1Cl.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate?
The InChIKey is AZZLDLAVVFZDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO5/c1-26-19-12-15(21(25)28-14-20(24)23-10-4-5-11-23)8-9-18(19)27-13-16-6-2-3-7-17(16)22/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate has a molecular weight of 403.86 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate is sourced from PubChem (CID 2600506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).