(4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

C19H18FNO3 — CID 86906530

IUPAC(4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESO=C(OCc1ccc(F)cc1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C19H18FNO3/c20-17-9-5-15(6-10-17)13-24-19(23)16-7-3-14(4-8-16)12-21-11-1-2-18(21)22/h3-10H,1-2,11-13H2
InChIKeyYFCXIBBNNWUNGR-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.31
Rot. Bonds5

About (4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

(4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 86906530) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
PubChem CID86906530
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name(4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESO=C(OCc1ccc(F)cc1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C19H18FNO3/c20-17-9-5-15(6-10-17)13-24-19(23)16-7-3-14(4-8-16)12-21-11-1-2-18(21)22/h3-10H,1-2,11-13H2
InChIKeyYFCXIBBNNWUNGR-UHFFFAOYSA-N
XLogP3.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7491563
(2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 30812015
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888059
N-ethyl-N-(4-fluorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51198675
[2-(2-fluoroanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7491309
[2-oxo-2-(4-propylphenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55380362
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94012016
[2-oxo-2-(propylamino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888225
1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 175277158
1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one
CID 146669613
[2-(4-bromoanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 18776364

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The IUPAC name of (4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (CID 86906530) is (4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.
What is the SMILES notation for (4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The canonical SMILES for (4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is O=C(OCc1ccc(F)cc1)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of (4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The InChIKey is YFCXIBBNNWUNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c20-17-9-5-15(6-10-17)13-24-19(23)16-7-3-14(4-8-16)12-21-11-1-2-18(21)22/h3-10H,1-2,11-13H2.
What are the key properties of (4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
(4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 327.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 86906530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).