2-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid

C22H14N2O5 — CID 3950536

IUPAC2-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C22H14N2O5/c25-19(23-18-9-5-4-8-16(18)22(28)29)13-10-11-15-17(12-13)21(27)24(20(15)26)14-6-2-1-3-7-14/h1-12H,(H,23,25)(H,28,29)
InChIKeyRGRFEPRNSJRTHK-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.44
Rot. Bonds4

About 2-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid

2-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid (PubChem CID 3950536) has the molecular formula C22H14N2O5 and a molecular weight of 386.36 g/mol. Its IUPAC name is 2-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid
PubChem CID3950536
Molecular FormulaC22H14N2O5
Molecular Weight386.36 g/mol
Exact Mass386.09
IUPAC Name2-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C22H14N2O5/c25-19(23-18-9-5-4-8-16(18)22(28)29)13-10-11-15-17(12-13)21(27)24(20(15)26)14-6-2-1-3-7-14/h1-12H,(H,23,25)(H,28,29)
InChIKeyRGRFEPRNSJRTHK-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid (CID 3950536) is 2-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of 2-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid?
The InChIKey is RGRFEPRNSJRTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O5/c25-19(23-18-9-5-4-8-16(18)22(28)29)13-10-11-15-17(12-13)21(27)24(20(15)26)14-6-2-1-3-7-14/h1-12H,(H,23,25)(H,28,29).
What are the key properties of 2-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid?
2-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)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-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 3950536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).