5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid

C17H12Cl2N2O5 — CID 43860918

IUPAC5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(N2C(=O)CC(Nc3c(Cl)cccc3Cl)C2=O)ccc1O
InChIInChI=1S/C17H12Cl2N2O5/c18-10-2-1-3-11(19)15(10)20-12-7-14(23)21(16(12)24)8-4-5-13(22)9(6-8)17(25)26/h1-6,12,20,22H,7H2,(H,25,26)
InChIKeyABDPKCDBMXCDHM-UHFFFAOYSA-N
MW395.20 g/mol
LogP3.14
Rot. Bonds4

About 5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid

5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid (PubChem CID 43860918) has the molecular formula C17H12Cl2N2O5 and a molecular weight of 395.20 g/mol. Its IUPAC name is 5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid
PubChem CID43860918
Molecular FormulaC17H12Cl2N2O5
Molecular Weight395.20 g/mol
Exact Mass394.01
IUPAC Name5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(N2C(=O)CC(Nc3c(Cl)cccc3Cl)C2=O)ccc1O
InChIInChI=1S/C17H12Cl2N2O5/c18-10-2-1-3-11(19)15(10)20-12-7-14(23)21(16(12)24)8-4-5-13(22)9(6-8)17(25)26/h1-6,12,20,22H,7H2,(H,25,26)
InChIKeyABDPKCDBMXCDHM-UHFFFAOYSA-N
XLogP3.14
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid (CID 43860918) is 5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid is O=C(O)c1cc(N2C(=O)CC(Nc3c(Cl)cccc3Cl)C2=O)ccc1O.
What is the InChIKey of 5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid?
The InChIKey is ABDPKCDBMXCDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O5/c18-10-2-1-3-11(19)15(10)20-12-7-14(23)21(16(12)24)8-4-5-13(22)9(6-8)17(25)26/h1-6,12,20,22H,7H2,(H,25,26).
What are the key properties of 5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid?
5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid has a molecular weight of 395.20 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid is sourced from PubChem (CID 43860918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).