(3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione

C22H16ClFN2O2 — CID 7693734

IUPAC(3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione
SMILESO=C1[C@H](c2ccccc2)N(c2ccc(Cl)cc2)C(=O)CN1c1ccccc1F
InChIInChI=1S/C22H16ClFN2O2/c23-16-10-12-17(13-11-16)26-20(27)14-25(19-9-5-4-8-18(19)24)22(28)21(26)15-6-2-1-3-7-15/h1-13,21H,14H2/t21-/m0/s1
InChIKeyWSHGCWSCNOMYBT-NRFANRHFSA-N
MW394.83 g/mol
LogP4.60
Rot. Bonds3

About (3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione

(3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione (PubChem CID 7693734) has the molecular formula C22H16ClFN2O2 and a molecular weight of 394.83 g/mol. Its IUPAC name is (3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione
PubChem CID7693734
Molecular FormulaC22H16ClFN2O2
Molecular Weight394.83 g/mol
Exact Mass394.09
IUPAC Name(3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione
SMILESO=C1[C@H](c2ccccc2)N(c2ccc(Cl)cc2)C(=O)CN1c1ccccc1F
InChIInChI=1S/C22H16ClFN2O2/c23-16-10-12-17(13-11-16)26-20(27)14-25(19-9-5-4-8-18(19)24)22(28)21(26)15-6-2-1-3-7-15/h1-13,21H,14H2/t21-/m0/s1
InChIKeyWSHGCWSCNOMYBT-NRFANRHFSA-N
XLogP4.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione?
The IUPAC name of (3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione (CID 7693734) is (3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione?
The canonical SMILES for (3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione is O=C1[C@H](c2ccccc2)N(c2ccc(Cl)cc2)C(=O)CN1c1ccccc1F.
What is the InChIKey of (3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione?
The InChIKey is WSHGCWSCNOMYBT-NRFANRHFSA-N. The full InChI is InChI=1S/C22H16ClFN2O2/c23-16-10-12-17(13-11-16)26-20(27)14-25(19-9-5-4-8-18(19)24)22(28)21(26)15-6-2-1-3-7-15/h1-13,21H,14H2/t21-/m0/s1.
What are the key properties of (3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione?
(3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione has a molecular weight of 394.83 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 7693734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).