(4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate

C19H17Cl2NO3 — CID 9057637

IUPAC(4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1
InChIInChI=1S/C19H17Cl2NO3/c1-2-12-6-8-14(9-7-12)25-19(24)13-10-17(23)22(11-13)16-5-3-4-15(20)18(16)21/h3-9,13H,2,10-11H2,1H3/t13-/m1/s1
InChIKeyHDNWKBPVBQYLTP-CYBMUJFWSA-N
MW378.26 g/mol
LogP4.51
Rot. Bonds4

About (4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate

(4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 9057637) has the molecular formula C19H17Cl2NO3 and a molecular weight of 378.26 g/mol. Its IUPAC name is (4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID9057637
Molecular FormulaC19H17Cl2NO3
Molecular Weight378.26 g/mol
Exact Mass377.06
IUPAC Name(4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1
InChIInChI=1S/C19H17Cl2NO3/c1-2-12-6-8-14(9-7-12)25-19(24)13-10-17(23)22(11-13)16-5-3-4-15(20)18(16)21/h3-9,13H,2,10-11H2,1H3/t13-/m1/s1
InChIKeyHDNWKBPVBQYLTP-CYBMUJFWSA-N
XLogP4.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-tert-butylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057631
[4-(2-methylbutan-2-yl)phenyl] (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057654
(4-ethylphenyl) (3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057558
(2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057636
(4-ethylphenyl) (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 1218876
(4-bromophenyl) (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057570
[4-(2-oxopyrrolidin-1-yl)phenyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 46611881
(3,4-dimethylphenyl) (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057592
[4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056947
1-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916579
methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693481
[2-(4-ethylanilino)-2-oxoethyl] (3R)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9171003

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate (CID 9057637) is (4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate is CCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1.
What is the InChIKey of (4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is HDNWKBPVBQYLTP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17Cl2NO3/c1-2-12-6-8-14(9-7-12)25-19(24)13-10-17(23)22(11-13)16-5-3-4-15(20)18(16)21/h3-9,13H,2,10-11H2,1H3/t13-/m1/s1.
What are the key properties of (4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate?
(4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 378.26 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 9057637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).