(2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate

C18H16FNO3 — CID 9130969

IUPAC(2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(OCc1ccccc1F)c1ccccc1N1CCCC1=O
InChIInChI=1S/C18H16FNO3/c19-15-8-3-1-6-13(15)12-23-18(22)14-7-2-4-9-16(14)20-11-5-10-17(20)21/h1-4,6-9H,5,10-12H2
InChIKeyKAAQUGHICPJWLD-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.31
Rot. Bonds4

About (2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate

(2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 9130969) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID9130969
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name(2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(OCc1ccccc1F)c1ccccc1N1CCCC1=O
InChIInChI=1S/C18H16FNO3/c19-15-8-3-1-6-13(15)12-23-18(22)14-7-2-4-9-16(14)20-11-5-10-17(20)21/h1-4,6-9H,5,10-12H2
InChIKeyKAAQUGHICPJWLD-UHFFFAOYSA-N
XLogP3.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)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

(2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9134704
(2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133574
(3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133484
phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131445
(7-hydroxy-2-oxochromen-4-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132576
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133924
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133609
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132983
[2-(4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131156
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133564
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131293
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132133

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of (2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate (CID 9130969) is (2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for (2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate is O=C(OCc1ccccc1F)c1ccccc1N1CCCC1=O.
What is the InChIKey of (2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is KAAQUGHICPJWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c19-15-8-3-1-6-13(15)12-23-18(22)14-7-2-4-9-16(14)20-11-5-10-17(20)21/h1-4,6-9H,5,10-12H2.
What are the key properties of (2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
(2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 313.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 9130969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).