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

C16H12BrFN2O2 — CID 98188351

IUPAC(3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccc(F)cc2)C(=O)N1c1ccccc1Br
InChIInChI=1S/C16H12BrFN2O2/c17-12-3-1-2-4-14(12)20-15(21)9-13(16(20)22)19-11-7-5-10(18)6-8-11/h1-8,13,19H,9H2/t13-/m0/s1
InChIKeyDTFNBVNIZFHYSG-ZDUSSCGKSA-N
MW363.19 g/mol
LogP3.33
Rot. Bonds3

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

(3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione (PubChem CID 98188351) has the molecular formula C16H12BrFN2O2 and a molecular weight of 363.19 g/mol. Its IUPAC name is (3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
PubChem CID98188351
Molecular FormulaC16H12BrFN2O2
Molecular Weight363.19 g/mol
Exact Mass362.01
IUPAC Name(3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccc(F)cc2)C(=O)N1c1ccccc1Br
InChIInChI=1S/C16H12BrFN2O2/c17-12-3-1-2-4-14(12)20-15(21)9-13(16(20)22)19-11-7-5-10(18)6-8-11/h1-8,13,19H,9H2/t13-/m0/s1
InChIKeyDTFNBVNIZFHYSG-ZDUSSCGKSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 53.33
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

1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 43844823
(3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione
CID 51860323
(3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 51860316
(3R)-1-(2,3-dichlorophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 98188370
3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 43844787
(3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 98188346
3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 19163739
(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 710370
1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 19163695
(3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 98524929
(3R)-1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 1143854
2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
CID 4855046

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione (CID 98188351) is (3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione is O=C1C[C@H](Nc2ccc(F)cc2)C(=O)N1c1ccccc1Br.
What is the InChIKey of (3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione?
The InChIKey is DTFNBVNIZFHYSG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H12BrFN2O2/c17-12-3-1-2-4-14(12)20-15(21)9-13(16(20)22)19-11-7-5-10(18)6-8-11/h1-8,13,19H,9H2/t13-/m0/s1.
What are the key properties of (3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione?
(3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione has a molecular weight of 363.19 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 98188351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).