methyl 2-[2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]ethoxy]benzoate

C20H20ClNO4 — CID 139728597

IUPACmethyl 2-[2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]ethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCCC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClNO4/c1-25-20(24)17-4-2-3-5-18(17)26-11-10-14-12-19(23)22(13-14)16-8-6-15(21)7-9-16/h2-9,14H,10-13H2,1H3
InChIKeyKPKRSEYCGJIVOZ-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.95
Rot. Bonds6

About methyl 2-[2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]ethoxy]benzoate

methyl 2-[2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]ethoxy]benzoate (PubChem CID 139728597) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is methyl 2-[2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]ethoxy]benzoate
PubChem CID139728597
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Namemethyl 2-[2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]ethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCCC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClNO4/c1-25-20(24)17-4-2-3-5-18(17)26-11-10-14-12-19(23)22(13-14)16-8-6-15(21)7-9-16/h2-9,14H,10-13H2,1H3
InChIKeyKPKRSEYCGJIVOZ-UHFFFAOYSA-N
XLogP3.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate
CID 10423122
methyl 4-[2-[5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]ethoxy]benzoate
CID 67753718
methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate
CID 16918311
1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2,6-dimethoxyphenyl)urea
CID 16920167
methyl 2-chloro-5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168662286
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40896342
methyl 4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168507353
methyl 5-chloro-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168507331
1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea
CID 16920175
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide
CID 16918926
methyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83726248
methyl 5-[4-(chlorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-fluorobenzoate
CID 168672954

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]ethoxy]benzoate?
The IUPAC name of methyl 2-[2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]ethoxy]benzoate (CID 139728597) is methyl 2-[2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]ethoxy]benzoate.
What is the SMILES notation for methyl 2-[2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]ethoxy]benzoate?
The canonical SMILES for methyl 2-[2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]ethoxy]benzoate is COC(=O)c1ccccc1OCCC1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of methyl 2-[2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]ethoxy]benzoate?
The InChIKey is KPKRSEYCGJIVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO4/c1-25-20(24)17-4-2-3-5-18(17)26-11-10-14-12-19(23)22(13-14)16-8-6-15(21)7-9-16/h2-9,14H,10-13H2,1H3.
What are the key properties of methyl 2-[2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]ethoxy]benzoate?
methyl 2-[2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]ethoxy]benzoate has a molecular weight of 373.84 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]ethoxy]benzoate is sourced from PubChem (CID 139728597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).