methyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate

C19H18FNO4 — CID 11724977

IUPACmethyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCC2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H18FNO4/c1-24-19(23)14-2-8-17(9-3-14)25-12-13-10-18(22)21(11-13)16-6-4-15(20)5-7-16/h2-9,13H,10-12H2,1H3
InChIKeyIGSDKZBFAVDZNR-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.04
Rot. Bonds5

About methyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate

methyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate (PubChem CID 11724977) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is methyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
PubChem CID11724977
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Namemethyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCC2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H18FNO4/c1-24-19(23)14-2-8-17(9-3-14)25-12-13-10-18(22)21(11-13)16-6-4-15(20)5-7-16/h2-9,13H,10-12H2,1H3
InChIKeyIGSDKZBFAVDZNR-UHFFFAOYSA-N
XLogP3.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
CID 10407483
methyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate
CID 19879283
methyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83726248
methyl 4-[[(3S)-1-(4-methoxy-3-nitrophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
CID 139643143
methyl 4-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]benzoate
CID 168670030
methyl 4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168507353
methyl 4-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
CID 22115951
methyl 4-[2-[5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]ethoxy]benzoate
CID 67753718
methyl 4-[4-(acetylsulfanylmethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168666701
1-(4-ethoxyphenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920085
1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea
CID 40913019
4-[[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoic acid
CID 10045310

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate (CID 11724977) is methyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate is COC(=O)c1ccc(OCC2CC(=O)N(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of methyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate?
The InChIKey is IGSDKZBFAVDZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-24-19(23)14-2-8-17(9-3-14)25-12-13-10-18(22)21(11-13)16-6-4-15(20)5-7-16/h2-9,13H,10-12H2,1H3.
What are the key properties of methyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate?
methyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate has a molecular weight of 343.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate is sourced from PubChem (CID 11724977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).