3-(2,3-dichloroanilino)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione

C17H14Cl2N2O3 — CID 43860870

IUPAC3-(2,3-dichloroanilino)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(O)ccc1N1C(=O)CC(Nc2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C17H14Cl2N2O3/c1-9-7-10(22)5-6-14(9)21-15(23)8-13(17(21)24)20-12-4-2-3-11(18)16(12)19/h2-7,13,20,22H,8H2,1H3
InChIKeySQIDJCFTNOVRSD-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.75
Rot. Bonds3

About 3-(2,3-dichloroanilino)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione

3-(2,3-dichloroanilino)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 43860870) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is 3-(2,3-dichloroanilino)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dichloroanilino)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
PubChem CID43860870
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Name3-(2,3-dichloroanilino)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(O)ccc1N1C(=O)CC(Nc2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C17H14Cl2N2O3/c1-9-7-10(22)5-6-14(9)21-15(23)8-13(17(21)24)20-12-4-2-3-11(18)16(12)19/h2-7,13,20,22H,8H2,1H3
InChIKeySQIDJCFTNOVRSD-UHFFFAOYSA-N
XLogP3.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloroanilino)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,3-dichloroanilino)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione (CID 43860870) is 3-(2,3-dichloroanilino)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,3-dichloroanilino)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,3-dichloroanilino)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione is Cc1cc(O)ccc1N1C(=O)CC(Nc2cccc(Cl)c2Cl)C1=O.
What is the InChIKey of 3-(2,3-dichloroanilino)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is SQIDJCFTNOVRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-9-7-10(22)5-6-14(9)21-15(23)8-13(17(21)24)20-12-4-2-3-11(18)16(12)19/h2-7,13,20,22H,8H2,1H3.
What are the key properties of 3-(2,3-dichloroanilino)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione?
3-(2,3-dichloroanilino)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 365.22 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloroanilino)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43860870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).