2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid

C22H14N2O5 — CID 1043261

IUPAC2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H14N2O5/c25-19(23-18-11-4-3-10-17(18)22(28)29)13-6-5-7-14(12-13)24-20(26)15-8-1-2-9-16(15)21(24)27/h1-12H,(H,23,25)(H,28,29)
InChIKeyMXHXGKJFHXHICT-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.44
Rot. Bonds4

About 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid

2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid (PubChem CID 1043261) has the molecular formula C22H14N2O5 and a molecular weight of 386.36 g/mol. Its IUPAC name is 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid
PubChem CID1043261
Molecular FormulaC22H14N2O5
Molecular Weight386.36 g/mol
Exact Mass386.09
IUPAC Name2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H14N2O5/c25-19(23-18-11-4-3-10-17(18)22(28)29)13-6-5-7-14(12-13)24-20(26)15-8-1-2-9-16(15)21(24)27/h1-12H,(H,23,25)(H,28,29)
InChIKeyMXHXGKJFHXHICT-UHFFFAOYSA-N
XLogP3.44
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid (CID 1043261) is 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid?
The InChIKey is MXHXGKJFHXHICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O5/c25-19(23-18-11-4-3-10-17(18)22(28)29)13-6-5-7-14(12-13)24-20(26)15-8-1-2-9-16(15)21(24)27/h1-12H,(H,23,25)(H,28,29).
What are the key properties of 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid?
2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid has a molecular weight of 386.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 1043261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).