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

C22H15N3O4 — CID 19177394

IUPAC2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H15N3O4/c23-19(26)17-10-3-4-11-18(17)24-20(27)13-6-5-7-14(12-13)25-21(28)15-8-1-2-9-16(15)22(25)29/h1-12H,(H2,23,26)(H,24,27)
InChIKeyIXIZKJFJQDVOKB-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.84
Rot. Bonds4

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

2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide (PubChem CID 19177394) has the molecular formula C22H15N3O4 and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
PubChem CID19177394
Molecular FormulaC22H15N3O4
Molecular Weight385.38 g/mol
Exact Mass385.11
IUPAC Name2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H15N3O4/c23-19(26)17-10-3-4-11-18(17)24-20(27)13-6-5-7-14(12-13)25-21(28)15-8-1-2-9-16(15)22(25)29/h1-12H,(H2,23,26)(H,24,27)
InChIKeyIXIZKJFJQDVOKB-UHFFFAOYSA-N
XLogP2.84
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.84
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-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 1271171
2-benzamidobenzamide
CID 702115
2-[[3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoyl]amino]benzoic acid
CID 3304388
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 4132611
3-(1,3-dioxoisoindol-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1192525
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
N-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19336564
3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 19177383
3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17297201
3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide
CID 4168644
3-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
CID 19177512
N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3492403

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide?
The IUPAC name of 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide (CID 19177394) is 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide?
The canonical SMILES for 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide?
The InChIKey is IXIZKJFJQDVOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O4/c23-19(26)17-10-3-4-11-18(17)24-20(27)13-6-5-7-14(12-13)25-21(28)15-8-1-2-9-16(15)22(25)29/h1-12H,(H2,23,26)(H,24,27).
What are the key properties of 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide?
2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide has a molecular weight of 385.38 g/mol, XLogP of 2.84, 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]benzamide is sourced from PubChem (CID 19177394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).