(3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione

C18H17FN2O2 — CID 51860070

IUPAC(3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)C[C@H](Nc3ccccc3F)C2=O)cc1
InChIInChI=1S/C18H17FN2O2/c1-2-12-7-9-13(10-8-12)21-17(22)11-16(18(21)23)20-15-6-4-3-5-14(15)19/h3-10,16,20H,2,11H2,1H3/t16-/m0/s1
InChIKeyUIPRTTHTAHMDNX-INIZCTEOSA-N
MW312.34 g/mol
LogP3.13
Rot. Bonds4

About (3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione

(3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione (PubChem CID 51860070) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is (3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
PubChem CID51860070
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name(3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)C[C@H](Nc3ccccc3F)C2=O)cc1
InChIInChI=1S/C18H17FN2O2/c1-2-12-7-9-13(10-8-12)21-17(22)11-16(18(21)23)20-15-6-4-3-5-14(15)19/h3-10,16,20H,2,11H2,1H3/t16-/m0/s1
InChIKeyUIPRTTHTAHMDNX-INIZCTEOSA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.13
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

(3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860069
(3R)-3-(2,3-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 98188111
(3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 98188112
3-(2-fluoroanilino)-1-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 43844737
(3S)-3-(2,6-dimethylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860063
1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844934
(3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188016
(3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 51860065
1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844668
3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 138958718
2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43827298
(3R)-1-(4-chlorophenyl)-3-(2-ethoxyanilino)pyrrolidine-2,5-dione
CID 51860298

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione (CID 51860070) is (3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione is CCc1ccc(N2C(=O)C[C@H](Nc3ccccc3F)C2=O)cc1.
What is the InChIKey of (3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
The InChIKey is UIPRTTHTAHMDNX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-2-12-7-9-13(10-8-12)21-17(22)11-16(18(21)23)20-15-6-4-3-5-14(15)19/h3-10,16,20H,2,11H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
(3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione has a molecular weight of 312.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 51860070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).