(4R)-1-(3,5-dichlorophenyl)-3-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione

C19H14Cl2F3NO3 — CID 144974540

IUPAC(4R)-1-(3,5-dichlorophenyl)-3-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
SMILESCCC1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@H]1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H14Cl2F3NO3/c1-2-15-16(10-3-5-14(6-4-10)28-19(22,23)24)18(27)25(17(15)26)13-8-11(20)7-12(21)9-13/h3-9,15-16H,2H2,1H3/t15?,16-/m0/s1
InChIKeyJOAFGZMNPOFMAE-LYKKTTPLSA-N
MW432.23 g/mol
LogP5.58
Rot. Bonds4

About (4R)-1-(3,5-dichlorophenyl)-3-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione

(4R)-1-(3,5-dichlorophenyl)-3-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione (PubChem CID 144974540) has the molecular formula C19H14Cl2F3NO3 and a molecular weight of 432.23 g/mol. Its IUPAC name is (4R)-1-(3,5-dichlorophenyl)-3-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(4R)-1-(3,5-dichlorophenyl)-3-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
PubChem CID144974540
Molecular FormulaC19H14Cl2F3NO3
Molecular Weight432.23 g/mol
Exact Mass431.03
IUPAC Name(4R)-1-(3,5-dichlorophenyl)-3-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
SMILESCCC1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@H]1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H14Cl2F3NO3/c1-2-15-16(10-3-5-14(6-4-10)28-19(22,23)24)18(27)25(17(15)26)13-8-11(20)7-12(21)9-13/h3-9,15-16H,2H2,1H3/t15?,16-/m0/s1
InChIKeyJOAFGZMNPOFMAE-LYKKTTPLSA-N
XLogP5.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.23
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3,5-dichlorophenyl)-3-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of (4R)-1-(3,5-dichlorophenyl)-3-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione (CID 144974540) is (4R)-1-(3,5-dichlorophenyl)-3-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (4R)-1-(3,5-dichlorophenyl)-3-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for (4R)-1-(3,5-dichlorophenyl)-3-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione is CCC1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@H]1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (4R)-1-(3,5-dichlorophenyl)-3-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione?
The InChIKey is JOAFGZMNPOFMAE-LYKKTTPLSA-N. The full InChI is InChI=1S/C19H14Cl2F3NO3/c1-2-15-16(10-3-5-14(6-4-10)28-19(22,23)24)18(27)25(17(15)26)13-8-11(20)7-12(21)9-13/h3-9,15-16H,2H2,1H3/t15?,16-/m0/s1.
What are the key properties of (4R)-1-(3,5-dichlorophenyl)-3-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione?
(4R)-1-(3,5-dichlorophenyl)-3-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione has a molecular weight of 432.23 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3,5-dichlorophenyl)-3-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 144974540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).