1-(3-chlorophenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione

C22H21ClFN3O3 — CID 5296836

IUPAC1-(3-chlorophenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione
SMILESO=C(c1ccc(F)cc1)N1CCC(NC2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1
InChIInChI=1S/C22H21ClFN3O3/c23-15-2-1-3-18(12-15)27-20(28)13-19(22(27)30)25-17-8-10-26(11-9-17)21(29)14-4-6-16(24)7-5-14/h1-7,12,17,19,25H,8-11,13H2
InChIKeyTZMVWYJITKRIBC-UHFFFAOYSA-N
MW429.88 g/mol
LogP3.01
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione

1-(3-chlorophenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione (PubChem CID 5296836) has the molecular formula C22H21ClFN3O3 and a molecular weight of 429.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione
PubChem CID5296836
Molecular FormulaC22H21ClFN3O3
Molecular Weight429.88 g/mol
Exact Mass429.13
IUPAC Name1-(3-chlorophenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione
SMILESO=C(c1ccc(F)cc1)N1CCC(NC2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1
InChIInChI=1S/C22H21ClFN3O3/c23-15-2-1-3-18(12-15)27-20(28)13-19(22(27)30)25-17-8-10-26(11-9-17)21(29)14-4-6-16(24)7-5-14/h1-7,12,17,19,25H,8-11,13H2
InChIKeyTZMVWYJITKRIBC-UHFFFAOYSA-N
XLogP3.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.88
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 27150944
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119938
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549659
1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 43844800
2,5-dichloro-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108554571
1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione
CID 2949824
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666
(3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 823725
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide
CID 7025869
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
(3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 7182344

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione (CID 5296836) is 1-(3-chlorophenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione is O=C(c1ccc(F)cc1)N1CCC(NC2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione?
The InChIKey is TZMVWYJITKRIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O3/c23-15-2-1-3-18(12-15)27-20(28)13-19(22(27)30)25-17-8-10-26(11-9-17)21(29)14-4-6-16(24)7-5-14/h1-7,12,17,19,25H,8-11,13H2.
What are the key properties of 1-(3-chlorophenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione?
1-(3-chlorophenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione has a molecular weight of 429.88 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 5296836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).