(2,3-dimethylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate

C19H17Cl2NO3 — CID 9056958

IUPAC(2,3-dimethylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1cccc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1C
InChIInChI=1S/C19H17Cl2NO3/c1-11-4-3-5-17(12(11)2)25-19(24)13-8-18(23)22(10-13)16-9-14(20)6-7-15(16)21/h3-7,9,13H,8,10H2,1-2H3/t13-/m0/s1
InChIKeyDXGGRBRGWVRTMG-ZDUSSCGKSA-N
MW378.26 g/mol
LogP4.57
Rot. Bonds3

About (2,3-dimethylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate

(2,3-dimethylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 9056958) has the molecular formula C19H17Cl2NO3 and a molecular weight of 378.26 g/mol. Its IUPAC name is (2,3-dimethylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2,3-dimethylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID9056958
Molecular FormulaC19H17Cl2NO3
Molecular Weight378.26 g/mol
Exact Mass377.06
IUPAC Name(2,3-dimethylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1cccc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1C
InChIInChI=1S/C19H17Cl2NO3/c1-11-4-3-5-17(12(11)2)25-19(24)13-8-18(23)22(10-13)16-9-14(20)6-7-15(16)21/h3-7,9,13H,8,10H2,1-2H3/t13-/m0/s1
InChIKeyDXGGRBRGWVRTMG-ZDUSSCGKSA-N
XLogP4.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,3-dimethylphenyl) (3S)-1-(2,5-dichlorophenyl)-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

(2,3-dimethylphenyl) (3R)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057575
(2-methoxyphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056972
ethyl 1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 50873791
(5-methyl-2-propan-2-ylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056952
(2-chlorophenyl) (3R)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057607
(2-chlorophenyl) (3R)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057079
[2-(3-chloro-2-methylanilino)-2-oxoethyl] (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 124557870
(2-chlorophenyl) (3S)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057050
(2,6-dimethylphenyl) (3R)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057061
(2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057636
N-(2,5-dichlorophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42997285
(2,3-dimethylphenyl) (3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057321

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (2,3-dimethylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate (CID 9056958) is (2,3-dimethylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (2,3-dimethylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (2,3-dimethylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate is Cc1cccc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1C.
What is the InChIKey of (2,3-dimethylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is DXGGRBRGWVRTMG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17Cl2NO3/c1-11-4-3-5-17(12(11)2)25-19(24)13-8-18(23)22(10-13)16-9-14(20)6-7-15(16)21/h3-7,9,13H,8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2,3-dimethylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate?
(2,3-dimethylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 378.26 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 9056958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).