5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide

C15H12N4O3 — CID 139787327

IUPAC5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide
SMILESNC(=O)c1cc(N)ccc1N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C15H12N4O3/c16-7-4-5-11(9(6-7)13(18)20)19-14(21)8-2-1-3-10(17)12(8)15(19)22/h1-6H,16-17H2,(H2,18,20)
InChIKeyJMKJXVISOZPQQY-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.75
Rot. Bonds2

About 5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide

5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 139787327) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide
PubChem CID139787327
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide
SMILESNC(=O)c1cc(N)ccc1N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C15H12N4O3/c16-7-4-5-11(9(6-7)13(18)20)19-14(21)8-2-1-3-10(17)12(8)15(19)22/h1-6H,16-17H2,(H2,18,20)
InChIKeyJMKJXVISOZPQQY-UHFFFAOYSA-N
XLogP0.75
TPSA132.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione
CID 139787348
4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787318
4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione
CID 4219186
4-amino-2-(2,4,5-trifluorophenyl)isoindole-1,3-dione
CID 62816614
5-amino-2-(2-aminophenyl)benzamide
CID 68784077
4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione
CID 28773083
4-amino-2-(2-methylsulfanylphenyl)isoindole-1,3-dione
CID 86189271
[3-(4-amino-1,3-dioxoisoindol-2-yl)phenyl] acetate
CID 703427
5-amino-2-(2,6-difluorophenyl)benzamide
CID 175316606
4-amino-2-(4-iodophenyl)isoindole-1,3-dione
CID 28976688
4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione
CID 139787302
4-amino-2-pyrimidin-5-ylisoindole-1,3-dione
CID 107588970

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of 5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide (CID 139787327) is 5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for 5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for 5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide is NC(=O)c1cc(N)ccc1N1C(=O)c2cccc(N)c2C1=O.
What is the InChIKey of 5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is JMKJXVISOZPQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c16-7-4-5-11(9(6-7)13(18)20)19-14(21)8-2-1-3-10(17)12(8)15(19)22/h1-6H,16-17H2,(H2,18,20).
What are the key properties of 5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide?
5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 296.29 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 139787327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).