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

C17H12Cl3NO3 — CID 9057636

IUPAC(2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(Oc1ccccc1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H12Cl3NO3/c18-11-4-1-2-7-14(11)24-17(23)10-8-15(22)21(9-10)13-6-3-5-12(19)16(13)20/h1-7,10H,8-9H2/t10-/m0/s1
InChIKeyNZNYTBXFDXUJNM-JTQLQIEISA-N
MW384.65 g/mol
LogP4.61
Rot. Bonds3

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

(2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 9057636) has the molecular formula C17H12Cl3NO3 and a molecular weight of 384.65 g/mol. Its IUPAC name is (2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID9057636
Molecular FormulaC17H12Cl3NO3
Molecular Weight384.65 g/mol
Exact Mass382.99
IUPAC Name(2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(Oc1ccccc1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H12Cl3NO3/c18-11-4-1-2-7-14(11)24-17(23)10-8-15(22)21(9-10)13-6-3-5-12(19)16(13)20/h1-7,10H,8-9H2/t10-/m0/s1
InChIKeyNZNYTBXFDXUJNM-JTQLQIEISA-N
XLogP4.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.65
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-chlorophenyl) (3S)-1-(2,3-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-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
CID 9057249
(2-chlorophenyl) (3S)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057050
(2-chlorophenyl) (3R)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057607
(2,3-dimethylphenyl) (3R)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057575
(4-tert-butylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057631
(2-chlorophenyl) (3R)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057079
(4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057637
(2-chlorophenyl) (3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056891
methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693481
[4-(2-methylbutan-2-yl)phenyl] (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057654
1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191372
(3S)-N-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056525

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate (CID 9057636) is (2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate is O=C(Oc1ccccc1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1.
What is the InChIKey of (2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is NZNYTBXFDXUJNM-JTQLQIEISA-N. The full InChI is InChI=1S/C17H12Cl3NO3/c18-11-4-1-2-7-14(11)24-17(23)10-8-15(22)21(9-10)13-6-3-5-12(19)16(13)20/h1-7,10H,8-9H2/t10-/m0/s1.
What are the key properties of (2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate?
(2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 384.65 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 9057636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).