(3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione

C21H20ClFN2O2 — CID 7358160

IUPAC(3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCC(c3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C21H20ClFN2O2/c22-17-12-16(6-7-18(17)23)25-20(26)13-19(21(25)27)24-10-8-15(9-11-24)14-4-2-1-3-5-14/h1-7,12,15,19H,8-11,13H2/t19-/m0/s1
InChIKeyFKRXTCYYAAVNDG-IBGZPJMESA-N
MW386.85 g/mol
LogP3.99
Rot. Bonds3

About (3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione

(3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione (PubChem CID 7358160) has the molecular formula C21H20ClFN2O2 and a molecular weight of 386.85 g/mol. Its IUPAC name is (3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
PubChem CID7358160
Molecular FormulaC21H20ClFN2O2
Molecular Weight386.85 g/mol
Exact Mass386.12
IUPAC Name(3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCC(c3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C21H20ClFN2O2/c22-17-12-16(6-7-18(17)23)25-20(26)13-19(21(25)27)24-10-8-15(9-11-24)14-4-2-1-3-5-14/h1-7,12,15,19H,8-11,13H2/t19-/m0/s1
InChIKeyFKRXTCYYAAVNDG-IBGZPJMESA-N
XLogP3.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 53.99
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 (3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione (CID 7358160) is (3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione is O=C1C[C@H](N2CCC(c3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1.
What is the InChIKey of (3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is FKRXTCYYAAVNDG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20ClFN2O2/c22-17-12-16(6-7-18(17)23)25-20(26)13-19(21(25)27)24-10-8-15(9-11-24)14-4-2-1-3-5-14/h1-7,12,15,19H,8-11,13H2/t19-/m0/s1.
What are the key properties of (3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione?
(3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 386.85 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7358160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).