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

C24H21ClN4O2 — CID 98130913

IUPAC(3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](NCCc2ccc(Cl)cc2)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H21ClN4O2/c25-18-8-6-17(7-9-18)14-15-26-22-16-23(30)29(24(22)31)21-12-10-20(11-13-21)28-27-19-4-2-1-3-5-19/h1-13,22,26H,14-16H2/b28-27+/t22-/m0/s1
InChIKeyCQPWLBYKHZTCNH-XJPNONJMSA-N
MW432.91 g/mol
LogP5.22
Rot. Bonds7

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

(3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione (PubChem CID 98130913) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is (3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
PubChem CID98130913
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name(3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](NCCc2ccc(Cl)cc2)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H21ClN4O2/c25-18-8-6-17(7-9-18)14-15-26-22-16-23(30)29(24(22)31)21-12-10-20(11-13-21)28-27-19-4-2-1-3-5-19/h1-13,22,26H,14-16H2/b28-27+/t22-/m0/s1
InChIKeyCQPWLBYKHZTCNH-XJPNONJMSA-N
XLogP5.22
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.22
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

(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 708153
3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2877398
3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 4064727
(3S)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130898
(3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130910
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 2850027
N-[4-[(3S)-3-[2-(4-chlorophenyl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 1166734
(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 742571
1-(4-chlorophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]pyrrolidine-2,5-dione
CID 2961815
3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
CID 43637577
(3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione
CID 710161
(3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione
CID 671547

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione (CID 98130913) is (3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione is O=C1C[C@H](NCCc2ccc(Cl)cc2)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of (3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
The InChIKey is CQPWLBYKHZTCNH-XJPNONJMSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c25-18-8-6-17(7-9-18)14-15-26-22-16-23(30)29(24(22)31)21-12-10-20(11-13-21)28-27-19-4-2-1-3-5-19/h1-13,22,26H,14-16H2/b28-27+/t22-/m0/s1.
What are the key properties of (3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
(3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione has a molecular weight of 432.91 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98130913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).