(3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione

C27H23ClFN3O3 — CID 27150944

IUPAC(3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C(c1ccc(F)cc1)c1ccc(N2CCN([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1
InChIInChI=1S/C27H23ClFN3O3/c28-20-2-1-3-23(16-20)32-25(33)17-24(27(32)35)31-14-12-30(13-15-31)22-10-6-19(7-11-22)26(34)18-4-8-21(29)9-5-18/h1-11,16,24H,12-15,17H2/t24-/m1/s1
InChIKeyHWBDWCYOGRUQTM-XMMPIXPASA-N
MW491.95 g/mol
LogP4.16
Rot. Bonds5

About (3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione

(3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 27150944) has the molecular formula C27H23ClFN3O3 and a molecular weight of 491.95 g/mol. Its IUPAC name is (3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID27150944
Molecular FormulaC27H23ClFN3O3
Molecular Weight491.95 g/mol
Exact Mass491.14
IUPAC Name(3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C(c1ccc(F)cc1)c1ccc(N2CCN([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1
InChIInChI=1S/C27H23ClFN3O3/c28-20-2-1-3-23(16-20)32-25(33)17-24(27(32)35)31-14-12-30(13-15-31)22-10-6-19(7-11-22)26(34)18-4-8-21(29)9-5-18/h1-11,16,24H,12-15,17H2/t24-/m1/s1
InChIKeyHWBDWCYOGRUQTM-XMMPIXPASA-N
XLogP4.16
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.95
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1087586
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1381072
1-(3-chlorophenyl)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2949652
3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 167795857
(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324
(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1288254
1-(3-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 3406382
(3S)-1-(4-bromophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1041111
(3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 793181
1-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 2059465
1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 2827716

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 27150944) is (3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione is O=C(c1ccc(F)cc1)c1ccc(N2CCN([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1.
What is the InChIKey of (3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is HWBDWCYOGRUQTM-XMMPIXPASA-N. The full InChI is InChI=1S/C27H23ClFN3O3/c28-20-2-1-3-23(16-20)32-25(33)17-24(27(32)35)31-14-12-30(13-15-31)22-10-6-19(7-11-22)26(34)18-4-8-21(29)9-5-18/h1-11,16,24H,12-15,17H2/t24-/m1/s1.
What are the key properties of (3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
(3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 491.95 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 27150944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).