methyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate

C19H17F2NO3 — CID 46230306

IUPACmethyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate
SMILESCOC(=O)c1c(F)cccc1-c1ccc(CN2CCCC2=O)c(F)c1
InChIInChI=1S/C19H17F2NO3/c1-25-19(24)18-14(4-2-5-15(18)20)12-7-8-13(16(21)10-12)11-22-9-3-6-17(22)23/h2,4-5,7-8,10H,3,6,9,11H2,1H3
InChIKeyFVKPQFZNARCFFB-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.54
Rot. Bonds4

About methyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate

methyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate (PubChem CID 46230306) has the molecular formula C19H17F2NO3 and a molecular weight of 345.35 g/mol. Its IUPAC name is methyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate
PubChem CID46230306
Molecular FormulaC19H17F2NO3
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Namemethyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate
SMILESCOC(=O)c1c(F)cccc1-c1ccc(CN2CCCC2=O)c(F)c1
InChIInChI=1S/C19H17F2NO3/c1-25-19(24)18-14(4-2-5-15(18)20)12-7-8-13(16(21)10-12)11-22-9-3-6-17(22)23/h2,4-5,7-8,10H,3,6,9,11H2,1H3
InChIKeyFVKPQFZNARCFFB-UHFFFAOYSA-N
XLogP3.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-[(1R)-1-[(1-acetamidocyclopropanecarbonyl)amino]ethyl]-3-fluorophenyl]-6-fluorobenzoate
CID 16102918
2-(4-fluorobenzyl)-3-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 23724287
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate
CID 1322784
Methyl 3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzoate
CID 72195505
MS-2764
CID 3796131
methyl 2-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidine-1-carbonyl]benzoate
CID 489818
Methyl 2-[4-[[[1-(3,3,3-trifluoropropanoylamino)cyclopentanecarbonyl]amino]methyl]phenyl]benzoate
CID 11641218
Methyl 2-[4-[[(1-acetamidocyclopropanecarbonyl)amino]methyl]-3-fluorophenyl]-6-fluorobenzoate
CID 16102908
methyl 4-[4-[(1R,3aS,4R,7aS)-2-benzyl-4-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isoindol-1-yl]-3-fluorophenyl]benzoate
CID 16746371
methyl 2-fluoro-6-[3-fluoro-4-[[[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]methyl]phenyl]benzoate
CID 44455074
methyl 2-fluoro-6-[3-fluoro-4-[[[(2S)-2-hydroxy-2,3-dimethylbutanoyl]amino]methyl]phenyl]benzoate
CID 44455107
methyl 2-fluoro-6-[3-fluoro-4-[[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]methyl]phenyl]benzoate
CID 44455108

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate?
The IUPAC name of methyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate (CID 46230306) is methyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate.
What is the SMILES notation for methyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate?
The canonical SMILES for methyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate is COC(=O)c1c(F)cccc1-c1ccc(CN2CCCC2=O)c(F)c1.
What is the InChIKey of methyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate?
The InChIKey is FVKPQFZNARCFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3/c1-25-19(24)18-14(4-2-5-15(18)20)12-7-8-13(16(21)10-12)11-22-9-3-6-17(22)23/h2,4-5,7-8,10H,3,6,9,11H2,1H3.
What are the key properties of methyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate?
methyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate has a molecular weight of 345.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate is sourced from PubChem (CID 46230306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).