(2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

C20H19Cl2NO3 — CID 7466508

IUPAC(2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccccc1N1C[C@@H](C(=O)OCc2c(Cl)cccc2Cl)CC1=O
InChIInChI=1S/C20H19Cl2NO3/c1-2-13-6-3-4-9-18(13)23-11-14(10-19(23)24)20(25)26-12-15-16(21)7-5-8-17(15)22/h3-9,14H,2,10-12H2,1H3/t14-/m0/s1
InChIKeyBXJWSTYRJFABIP-AWEZNQCLSA-N
MW392.28 g/mol
LogP4.65
Rot. Bonds5

About (2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

(2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 7466508) has the molecular formula C20H19Cl2NO3 and a molecular weight of 392.28 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID7466508
Molecular FormulaC20H19Cl2NO3
Molecular Weight392.28 g/mol
Exact Mass391.07
IUPAC Name(2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccccc1N1C[C@@H](C(=O)OCc2c(Cl)cccc2Cl)CC1=O
InChIInChI=1S/C20H19Cl2NO3/c1-2-13-6-3-4-9-18(13)23-11-14(10-19(23)24)20(25)26-12-15-16(21)7-5-8-17(15)22/h3-9,14H,2,10-12H2,1H3/t14-/m0/s1
InChIKeyBXJWSTYRJFABIP-AWEZNQCLSA-N
XLogP4.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)methyl (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466348
(4-methoxycarbonylphenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466502
[2-(methylamino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7798822
(2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2536904
[2-(2-ethylanilino)-2-oxoethyl] (3R)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9170930
(2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 19590567
(2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 19615215
[2-(4-methylphenyl)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 41137111
(2-chlorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 952072
(2-chlorophenyl)methyl 1-(4-butylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 3400881
[2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466582
[2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466383

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 7466508) is (2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is CCc1ccccc1N1C[C@@H](C(=O)OCc2c(Cl)cccc2Cl)CC1=O.
What is the InChIKey of (2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is BXJWSTYRJFABIP-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19Cl2NO3/c1-2-13-6-3-4-9-18(13)23-11-14(10-19(23)24)20(25)26-12-15-16(21)7-5-8-17(15)22/h3-9,14H,2,10-12H2,1H3/t14-/m0/s1.
What are the key properties of (2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
(2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 392.28 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 7466508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).