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

C18H14ClF3N2O2 — CID 164642061

IUPAC(3R)-3-(4-chlorophenyl)-3-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-2,5-dione
SMILESC[C@]1(c2ccc(Cl)cc2)CC(=O)N(Cc2cccnc2C(F)(F)F)C1=O
InChIInChI=1S/C18H14ClF3N2O2/c1-17(12-4-6-13(19)7-5-12)9-14(25)24(16(17)26)10-11-3-2-8-23-15(11)18(20,21)22/h2-8H,9-10H2,1H3/t17-/m1/s1
InChIKeyBMABXAUAOOHBDD-QGZVFWFLSA-N
MW382.77 g/mol
LogP3.97
Rot. Bonds3

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

(3R)-3-(4-chlorophenyl)-3-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-2,5-dione (PubChem CID 164642061) has the molecular formula C18H14ClF3N2O2 and a molecular weight of 382.77 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-3-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-3-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-2,5-dione
PubChem CID164642061
Molecular FormulaC18H14ClF3N2O2
Molecular Weight382.77 g/mol
Exact Mass382.07
IUPAC Name(3R)-3-(4-chlorophenyl)-3-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-2,5-dione
SMILESC[C@]1(c2ccc(Cl)cc2)CC(=O)N(Cc2cccnc2C(F)(F)F)C1=O
InChIInChI=1S/C18H14ClF3N2O2/c1-17(12-4-6-13(19)7-5-12)9-14(25)24(16(17)26)10-11-3-2-8-23-15(11)18(20,21)22/h2-8H,9-10H2,1H3/t17-/m1/s1
InChIKeyBMABXAUAOOHBDD-QGZVFWFLSA-N
XLogP3.97
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 53.97
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 (3R)-3-(4-chlorophenyl)-3-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(4-chlorophenyl)-3-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-2,5-dione (CID 164642061) is (3R)-3-(4-chlorophenyl)-3-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-3-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-3-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-2,5-dione is C[C@]1(c2ccc(Cl)cc2)CC(=O)N(Cc2cccnc2C(F)(F)F)C1=O.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-3-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is BMABXAUAOOHBDD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H14ClF3N2O2/c1-17(12-4-6-13(19)7-5-12)9-14(25)24(16(17)26)10-11-3-2-8-23-15(11)18(20,21)22/h2-8H,9-10H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-3-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-2,5-dione?
(3R)-3-(4-chlorophenyl)-3-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 382.77 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-3-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 164642061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).