3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione

C24H21FN4O2 — CID 4064727

IUPAC3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2ccccc2F)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H21FN4O2/c25-21-9-5-4-6-17(21)14-15-26-22-16-23(30)29(24(22)31)20-12-10-19(11-13-20)28-27-18-7-2-1-3-8-18/h1-13,22,26H,14-16H2/b28-27+
InChIKeyUWQKTQPNNGCQKX-BYYHNAKLSA-N
MW416.46 g/mol
LogP4.71
Rot. Bonds7

About 3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione

3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione (PubChem CID 4064727) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
PubChem CID4064727
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2ccccc2F)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H21FN4O2/c25-21-9-5-4-6-17(21)14-15-26-22-16-23(30)29(24(22)31)20-12-10-19(11-13-20)28-27-18-7-2-1-3-8-18/h1-13,22,26H,14-16H2/b28-27+
InChIKeyUWQKTQPNNGCQKX-BYYHNAKLSA-N
XLogP4.71
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130913
(3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130910
(3R)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820410
(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820411
(3S)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130898
1-(4-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
CID 2927944
3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
CID 43637577
3-[2-(2-chlorophenyl)ethylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 4106401
(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 708153
(3R)-3-[2-(2-methoxyphenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 822039
(3R)-3-[2-(2-chlorophenyl)ethylamino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 1022386
[(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium
CID 7303462

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione (CID 4064727) is 3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione is O=C1CC(NCCc2ccccc2F)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
The InChIKey is UWQKTQPNNGCQKX-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-21-9-5-4-6-17(21)14-15-26-22-16-23(30)29(24(22)31)20-12-10-19(11-13-20)28-27-18-7-2-1-3-8-18/h1-13,22,26H,14-16H2/b28-27+.
What are the key properties of 3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione has a molecular weight of 416.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 4064727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).