(3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate

C19H18FNO3 — CID 9057122

IUPAC(3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1C
InChIInChI=1S/C19H18FNO3/c1-12-3-8-17(9-13(12)2)24-19(23)14-10-18(22)21(11-14)16-6-4-15(20)5-7-16/h3-9,14H,10-11H2,1-2H3/t14-/m0/s1
InChIKeySFGSRMSJNSEGQG-AWEZNQCLSA-N
MW327.36 g/mol
LogP3.40
Rot. Bonds3

About (3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate

(3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 9057122) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is (3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID9057122
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name(3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1C
InChIInChI=1S/C19H18FNO3/c1-12-3-8-17(9-13(12)2)24-19(23)14-10-18(22)21(11-14)16-6-4-15(20)5-7-16/h3-9,14H,10-11H2,1-2H3/t14-/m0/s1
InChIKeySFGSRMSJNSEGQG-AWEZNQCLSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate 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

(3,4-dimethylphenyl) (3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056903
[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056744
[2-(4-fluorophenyl)-2-oxoethyl] (3S)-1-[4-(3,4-dimethylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 1218832
(3,4-dimethylphenyl) (3R)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 973275
(4-methoxyphenyl) 1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 43044149
(3,4-dimethylphenyl) (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057592
(4-methoxyphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057140
(3,4-dimethylphenyl) (3S)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9097264
(3S)-N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 680186
(4-fluorophenyl) (3S)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 31860794
methyl (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 804856
(3,4-dimethylphenyl) (3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057540

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate (CID 9057122) is (3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate is Cc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is SFGSRMSJNSEGQG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-12-3-8-17(9-13(12)2)24-19(23)14-10-18(22)21(11-14)16-6-4-15(20)5-7-16/h3-9,14H,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
(3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 327.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 9057122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).