1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione

C16H12ClFN2O2 — CID 43844800

IUPAC1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2cccc(F)c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H12ClFN2O2/c17-10-3-1-6-13(7-10)20-15(21)9-14(16(20)22)19-12-5-2-4-11(18)8-12/h1-8,14,19H,9H2
InChIKeyHQIJGIQJEVPHFM-UHFFFAOYSA-N
MW318.74 g/mol
LogP3.22
Rot. Bonds3

About 1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione

1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione (PubChem CID 43844800) has the molecular formula C16H12ClFN2O2 and a molecular weight of 318.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
PubChem CID43844800
Molecular FormulaC16H12ClFN2O2
Molecular Weight318.74 g/mol
Exact Mass318.06
IUPAC Name1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2cccc(F)c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H12ClFN2O2/c17-10-3-1-6-13(7-10)20-15(21)9-14(16(20)22)19-12-5-2-4-11(18)8-12/h1-8,14,19H,9H2
InChIKeyHQIJGIQJEVPHFM-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 53.22
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

3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione
CID 43410376
(3S)-3-(3-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860110
(3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione
CID 1354771
(3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 8933099
3-(3,4-dimethylanilino)-1-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 43844727
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid
CID 43826788
2-[4-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
CID 4852443
1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 43844693
3-(2-fluoroanilino)-1-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 43844737
(3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 51860316
(3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 51859976

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione (CID 43844800) is 1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione is O=C1CC(Nc2cccc(F)c2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione?
The InChIKey is HQIJGIQJEVPHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2/c17-10-3-1-6-13(7-10)20-15(21)9-14(16(20)22)19-12-5-2-4-11(18)8-12/h1-8,14,19H,9H2.
What are the key properties of 1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione?
1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione has a molecular weight of 318.74 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43844800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).