3-(4-chloro-2-iodoanilino)-1-cyclopropylpyrrolidine-2,5-dione

C13H12ClIN2O2 — CID 107633485

IUPAC3-(4-chloro-2-iodoanilino)-1-cyclopropylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(Cl)cc2I)C(=O)N1C1CC1
InChIInChI=1S/C13H12ClIN2O2/c14-7-1-4-10(9(15)5-7)16-11-6-12(18)17(13(11)19)8-2-3-8/h1,4-5,8,11,16H,2-3,6H2
InChIKeyATBPBIKEVMQQCK-UHFFFAOYSA-N
MW390.61 g/mol
LogP2.65
Rot. Bonds3

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

3-(4-chloro-2-iodoanilino)-1-cyclopropylpyrrolidine-2,5-dione (PubChem CID 107633485) has the molecular formula C13H12ClIN2O2 and a molecular weight of 390.61 g/mol. Its IUPAC name is 3-(4-chloro-2-iodoanilino)-1-cyclopropylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-chloro-2-iodoanilino)-1-cyclopropylpyrrolidine-2,5-dione
PubChem CID107633485
Molecular FormulaC13H12ClIN2O2
Molecular Weight390.61 g/mol
Exact Mass389.96
IUPAC Name3-(4-chloro-2-iodoanilino)-1-cyclopropylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(Cl)cc2I)C(=O)N1C1CC1
InChIInChI=1S/C13H12ClIN2O2/c14-7-1-4-10(9(15)5-7)16-11-6-12(18)17(13(11)19)8-2-3-8/h1,4-5,8,11,16H,2-3,6H2
InChIKeyATBPBIKEVMQQCK-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.61
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-iodoanilino)-1-cyclopropylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-chloro-2-iodoanilino)-1-cyclopropylpyrrolidine-2,5-dione (CID 107633485) is 3-(4-chloro-2-iodoanilino)-1-cyclopropylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-chloro-2-iodoanilino)-1-cyclopropylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-chloro-2-iodoanilino)-1-cyclopropylpyrrolidine-2,5-dione is O=C1CC(Nc2ccc(Cl)cc2I)C(=O)N1C1CC1.
What is the InChIKey of 3-(4-chloro-2-iodoanilino)-1-cyclopropylpyrrolidine-2,5-dione?
The InChIKey is ATBPBIKEVMQQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN2O2/c14-7-1-4-10(9(15)5-7)16-11-6-12(18)17(13(11)19)8-2-3-8/h1,4-5,8,11,16H,2-3,6H2.
What are the key properties of 3-(4-chloro-2-iodoanilino)-1-cyclopropylpyrrolidine-2,5-dione?
3-(4-chloro-2-iodoanilino)-1-cyclopropylpyrrolidine-2,5-dione has a molecular weight of 390.61 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-iodoanilino)-1-cyclopropylpyrrolidine-2,5-dione is sourced from PubChem (CID 107633485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).