(3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione

C18H15Cl2NO2 — CID 797214

IUPAC(3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)c1Cl
InChIInChI=1S/C18H15Cl2NO2/c1-11-3-2-4-15(17(11)20)21-16(22)10-13(18(21)23)9-12-5-7-14(19)8-6-12/h2-8,13H,9-10H2,1H3/t13-/m1/s1
InChIKeyPLDXHJTUGWOGCX-CYBMUJFWSA-N
MW348.23 g/mol
LogP4.42
Rot. Bonds3

About (3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione

(3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 797214) has the molecular formula C18H15Cl2NO2 and a molecular weight of 348.23 g/mol. Its IUPAC name is (3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
PubChem CID797214
Molecular FormulaC18H15Cl2NO2
Molecular Weight348.23 g/mol
Exact Mass347.05
IUPAC Name(3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)c1Cl
InChIInChI=1S/C18H15Cl2NO2/c1-11-3-2-4-15(17(11)20)21-16(22)10-13(18(21)23)9-12-5-7-14(19)8-6-12/h2-8,13H,9-10H2,1H3/t13-/m1/s1
InChIKeyPLDXHJTUGWOGCX-CYBMUJFWSA-N
XLogP4.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-benzyl-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 969675
(3R)-3-benzyl-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 969674
(3R)-3-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione
CID 1091337
3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
CID 2940398
3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2868769
(3S)-1-(2-iodophenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 1369685
3-[(4-chlorophenyl)methyl]-1-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 3133545
3-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpyrrolidine-2,5-dione
CID 2956902
(3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione
CID 846260
1-(3-chloro-2-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 2868062
N-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 1080723
ethyl 4-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1302728

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione (CID 797214) is (3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione is Cc1cccc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)c1Cl.
What is the InChIKey of (3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is PLDXHJTUGWOGCX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H15Cl2NO2/c1-11-3-2-4-15(17(11)20)21-16(22)10-13(18(21)23)9-12-5-7-14(19)8-6-12/h2-8,13H,9-10H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione?
(3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 348.23 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 797214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).