methyl 2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate

C19H17FN2O4 — CID 644842

IUPACmethyl 2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H17FN2O4/c1-26-19(25)15-4-2-3-5-16(15)21-18(24)12-10-17(23)22(11-12)14-8-6-13(20)7-9-14/h2-9,12H,10-11H2,1H3,(H,21,24)
InChIKeyRTQAUBBVKCOEPS-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.60
Rot. Bonds4

About methyl 2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate

methyl 2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 644842) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is methyl 2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
PubChem CID644842
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Namemethyl 2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H17FN2O4/c1-26-19(25)15-4-2-3-5-16(15)21-18(24)12-10-17(23)22(11-12)14-8-6-13(20)7-9-14/h2-9,12H,10-11H2,1H3,(H,21,24)
InChIKeyRTQAUBBVKCOEPS-UHFFFAOYSA-N
XLogP2.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (CID 644842) is methyl 2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of methyl 2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is RTQAUBBVKCOEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-26-19(25)15-4-2-3-5-16(15)21-18(24)12-10-17(23)22(11-12)14-8-6-13(20)7-9-14/h2-9,12H,10-11H2,1H3,(H,21,24).
What are the key properties of methyl 2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
methyl 2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 356.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 644842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).