(3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione

C16H12ClIN2O2 — CID 1354771

IUPAC(3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Nc2ccc(I)cc2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H12ClIN2O2/c17-10-2-1-3-13(8-10)20-15(21)9-14(16(20)22)19-12-6-4-11(18)5-7-12/h1-8,14,19H,9H2/t14-/m1/s1
InChIKeyKCKKJVPHCQUOBE-CQSZACIVSA-N
MW426.64 g/mol
LogP3.69
Rot. Bonds3

About (3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione

(3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione (PubChem CID 1354771) has the molecular formula C16H12ClIN2O2 and a molecular weight of 426.64 g/mol. Its IUPAC name is (3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione
PubChem CID1354771
Molecular FormulaC16H12ClIN2O2
Molecular Weight426.64 g/mol
Exact Mass425.96
IUPAC Name(3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Nc2ccc(I)cc2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H12ClIN2O2/c17-10-2-1-3-13(8-10)20-15(21)9-14(16(20)22)19-12-6-4-11(18)5-7-12/h1-8,14,19H,9H2/t14-/m1/s1
InChIKeyKCKKJVPHCQUOBE-CQSZACIVSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.64
LogP ≤ 53.69
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 (3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione (CID 1354771) is (3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione is O=C1C[C@@H](Nc2ccc(I)cc2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione?
The InChIKey is KCKKJVPHCQUOBE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H12ClIN2O2/c17-10-2-1-3-13(8-10)20-15(21)9-14(16(20)22)19-12-6-4-11(18)5-7-12/h1-8,14,19H,9H2/t14-/m1/s1.
What are the key properties of (3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione?
(3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione has a molecular weight of 426.64 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 1354771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).