4-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid

C22H14N2O5 — CID 1350941

IUPAC4-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1
InChIInChI=1S/C22H14N2O5/c25-19(23-15-9-6-13(7-10-15)22(28)29)14-8-11-17-18(12-14)21(27)24(20(17)26)16-4-2-1-3-5-16/h1-12H,(H,23,25)(H,28,29)
InChIKeyUTQHGZMWVDCBTN-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.44
Rot. Bonds4

About 4-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid

4-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid (PubChem CID 1350941) has the molecular formula C22H14N2O5 and a molecular weight of 386.36 g/mol. Its IUPAC name is 4-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid
PubChem CID1350941
Molecular FormulaC22H14N2O5
Molecular Weight386.36 g/mol
Exact Mass386.09
IUPAC Name4-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1
InChIInChI=1S/C22H14N2O5/c25-19(23-15-9-6-13(7-10-15)22(28)29)14-8-11-17-18(12-14)21(27)24(20(17)26)16-4-2-1-3-5-16/h1-12H,(H,23,25)(H,28,29)
InChIKeyUTQHGZMWVDCBTN-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 4-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid (CID 1350941) is 4-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1.
What is the InChIKey of 4-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid?
The InChIKey is UTQHGZMWVDCBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O5/c25-19(23-15-9-6-13(7-10-15)22(28)29)14-8-11-17-18(12-14)21(27)24(20(17)26)16-4-2-1-3-5-16/h1-12H,(H,23,25)(H,28,29).
What are the key properties of 4-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid?
4-[(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 4-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 1350941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).