2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide

C17H13N3O4 — CID 4692603

IUPAC2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13N3O4/c18-15(22)12-7-3-4-8-13(12)19-14(21)9-20-16(23)10-5-1-2-6-11(10)17(20)24/h1-8H,9H2,(H2,18,22)(H,19,21)
InChIKeyYNRMNCOPBZOFJR-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.02
Rot. Bonds4

About 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide

2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide (PubChem CID 4692603) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
PubChem CID4692603
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC Name2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13N3O4/c18-15(22)12-7-3-4-8-13(12)19-14(21)9-20-16(23)10-5-1-2-6-11(10)17(20)24/h1-8H,9H2,(H2,18,22)(H,19,21)
InChIKeyYNRMNCOPBZOFJR-UHFFFAOYSA-N
XLogP1.02
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1223346
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 26706648
2-[[2-(4-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 82342701
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8874197
2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide
CID 51286975
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767299
N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867092
2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide
CID 18284875
methyl 2-[[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]benzoate
CID 113201934
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide (CID 4692603) is 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide?
The InChIKey is YNRMNCOPBZOFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c18-15(22)12-7-3-4-8-13(12)19-14(21)9-20-16(23)10-5-1-2-6-11(10)17(20)24/h1-8H,9H2,(H2,18,22)(H,19,21).
What are the key properties of 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide?
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide has a molecular weight of 323.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide is sourced from PubChem (CID 4692603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).