1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,5-dione

C19H14FNO3 — CID 171133678

IUPAC1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,5-dione
SMILESCc1ccc(C(=O)C=C2CC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C19H14FNO3/c1-12-2-4-13(5-3-12)17(22)10-14-11-18(23)21(19(14)24)16-8-6-15(20)7-9-16/h2-10H,11H2,1H3
InChIKeyWGCVQYCLXZLQQR-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.21
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,5-dione

1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,5-dione (PubChem CID 171133678) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,5-dione
PubChem CID171133678
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,5-dione
SMILESCc1ccc(C(=O)C=C2CC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C19H14FNO3/c1-12-2-4-13(5-3-12)17(22)10-14-11-18(23)21(19(14)24)16-8-6-15(20)7-9-16/h2-10H,11H2,1H3
InChIKeyWGCVQYCLXZLQQR-UHFFFAOYSA-N
XLogP3.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[3-(carboxymethylidene)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 71357184
(3E)-3-(2-chloroethylidene)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 175653564
1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 155023000
(4E)-1-(4-fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 6081407
4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid
CID 94073198
(3aR,4S,8aS,8bR)-4-(4-fluorobenzoyl)-2-(4-methylphenyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione
CID 11909931
4-(4-fluorobenzoyl)-2-(4-methylphenyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione
CID 4912481
(3aS,4S,8aR,8bR)-4-(4-fluorobenzoyl)-2-(4-methylphenyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione
CID 7640618
(3Z)-1-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one
CID 6449086
(3E)-1-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one
CID 10444517
(3Z)-2-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]isoindol-1-one
CID 11832707
5-(4-fluorobenzoyl)-2-[4-[5-(4-fluorobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 102076477

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,5-dione (CID 171133678) is 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,5-dione is Cc1ccc(C(=O)C=C2CC(=O)N(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,5-dione?
The InChIKey is WGCVQYCLXZLQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c1-12-2-4-13(5-3-12)17(22)10-14-11-18(23)21(19(14)24)16-8-6-15(20)7-9-16/h2-10H,11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,5-dione?
1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,5-dione has a molecular weight of 323.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 171133678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).