3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione

C16H13IN2O2 — CID 2859195

IUPAC3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(I)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H13IN2O2/c17-11-6-8-12(9-7-11)18-14-10-15(20)19(16(14)21)13-4-2-1-3-5-13/h1-9,14,18H,10H2
InChIKeyBYVIVRHKRSPYCU-UHFFFAOYSA-N
MW392.20 g/mol
LogP3.04
Rot. Bonds3

About 3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione

3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione (PubChem CID 2859195) has the molecular formula C16H13IN2O2 and a molecular weight of 392.20 g/mol. Its IUPAC name is 3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione
PubChem CID2859195
Molecular FormulaC16H13IN2O2
Molecular Weight392.20 g/mol
Exact Mass392.00
IUPAC Name3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(I)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H13IN2O2/c17-11-6-8-12(9-7-11)18-14-10-15(20)19(16(14)21)13-4-2-1-3-5-13/h1-9,14,18H,10H2
InChIKeyBYVIVRHKRSPYCU-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione
CID 1354771
1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2877177
(3S)-1-(4-iodophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 40588175
3-(4-nitroanilino)-1-phenylpyrrolidine-2,5-dione
CID 19163761
(3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione
CID 695428
3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione
CID 2872674
3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione
CID 43410376
1-phenyl-3-(2-phenylhydrazinyl)pyrrolidine-2,5-dione
CID 3731496
3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione
CID 19057923
(3R)-3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 92528251
3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163694
(3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione
CID 766662

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione (CID 2859195) is 3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione is O=C1CC(Nc2ccc(I)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is BYVIVRHKRSPYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O2/c17-11-6-8-12(9-7-11)18-14-10-15(20)19(16(14)21)13-4-2-1-3-5-13/h1-9,14,18H,10H2.
What are the key properties of 3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione?
3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 392.20 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2859195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).