5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione

C26H21FN2O5 — CID 123175391

IUPAC5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione
SMILESCON=Cc1ccc(N2C(=O)C(=O)C(C(=O)c3ccc(OC)cc3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C26H21FN2O5/c1-33-21-13-7-18(8-14-21)24(30)22-23(17-5-9-19(27)10-6-17)29(26(32)25(22)31)20-11-3-16(4-12-20)15-28-34-2/h3-15,22-23H,1-2H3
InChIKeyCYAIDWPGZIYNNW-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.97
Rot. Bonds7

About 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione

5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione (PubChem CID 123175391) has the molecular formula C26H21FN2O5 and a molecular weight of 460.46 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione
PubChem CID123175391
Molecular FormulaC26H21FN2O5
Molecular Weight460.46 g/mol
Exact Mass460.14
IUPAC Name5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione
SMILESCON=Cc1ccc(N2C(=O)C(=O)C(C(=O)c3ccc(OC)cc3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C26H21FN2O5/c1-33-21-13-7-18(8-14-21)24(30)22-23(17-5-9-19(27)10-6-17)29(26(32)25(22)31)20-11-3-16(4-12-20)15-28-34-2/h3-15,22-23H,1-2H3
InChIKeyCYAIDWPGZIYNNW-UHFFFAOYSA-N
XLogP3.97
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)-1-[4-[1-(methoxyamino)ethenyl]phenyl]-4-(4-methoxybenzoyl)pyrrolidine-2,3-dione
CID 123888194
5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 58045036
5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 58045228
1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
CID 123469121
(4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one
CID 163873476
5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-(2-piperazine-1,4-diium-1-ylethyl)pyrrolidine-2,3-dione
CID 4757121
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
4-(2,2-dimethylpropanoyl)-1-(4-ethynylphenyl)-5-(4-fluorophenyl)pyrrolidine-2,3-dione
CID 123727211
ethyl (2S,3R)-1-(4-methoxyphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 98085696
ethyl (2R,3S)-1-(4-methoxyphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 98085695
[(Z)-2-(4-fluorophenyl)-4-[(2S,3R)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-oxoazetidin-3-yl]but-2-enyl] acetate
CID 50923999
5-(4-fluorophenyl)-4-(4-propan-2-yloxybenzoyl)-1-pyridin-1-ium-2-ylpyrrolidine-2,3-dione
CID 4144674

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione?
The IUPAC name of 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione (CID 123175391) is 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione?
The canonical SMILES for 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione is CON=Cc1ccc(N2C(=O)C(=O)C(C(=O)c3ccc(OC)cc3)C2c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione?
The InChIKey is CYAIDWPGZIYNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O5/c1-33-21-13-7-18(8-14-21)24(30)22-23(17-5-9-19(27)10-6-17)29(26(32)25(22)31)20-11-3-16(4-12-20)15-28-34-2/h3-15,22-23H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione?
5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione has a molecular weight of 460.46 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 123175391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).