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

C18H16ClFN2O2 — CID 2877398

IUPAC3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2O2/c19-13-3-1-12(2-4-13)9-10-21-16-11-17(23)22(18(16)24)15-7-5-14(20)6-8-15/h1-8,16,21H,9-11H2
InChIKeyWWNGBTPOBHQWOV-UHFFFAOYSA-N
MW346.79 g/mol
LogP2.94
Rot. Bonds5

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

3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 2877398) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID2877398
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2O2/c19-13-3-1-12(2-4-13)9-10-21-16-11-17(23)22(18(16)24)15-7-5-14(20)6-8-15/h1-8,16,21H,9-11H2
InChIKeyWWNGBTPOBHQWOV-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
N-[4-[(3S)-3-[2-(4-chlorophenyl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 1166734
(3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130913
1-(4-chlorophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]pyrrolidine-2,5-dione
CID 2961815
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 2850027
2-(4-chlorophenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4246990
3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2868769
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[3-[2-(4-chlorophenyl)ethylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21167498
(3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione
CID 710161
(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 742571
(3R)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylamino]pyrrolidine-2,5-dione
CID 683439
4-[2-[[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 1090820

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione (CID 2877398) is 3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione is O=C1CC(NCCc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is WWNGBTPOBHQWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c19-13-3-1-12(2-4-13)9-10-21-16-11-17(23)22(18(16)24)15-7-5-14(20)6-8-15/h1-8,16,21H,9-11H2.
What are the key properties of 3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 346.79 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2877398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).