4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide

C22H15N3O4 — CID 1162393

IUPAC4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C22H15N3O4/c23-19(26)13-5-9-15(10-6-13)24-20(27)14-7-11-16(12-8-14)25-21(28)17-3-1-2-4-18(17)22(25)29/h1-12H,(H2,23,26)(H,24,27)
InChIKeyQAPMMCWVMIHXBB-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.84
Rot. Bonds4

About 4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide

4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide (PubChem CID 1162393) has the molecular formula C22H15N3O4 and a molecular weight of 385.38 g/mol. Its IUPAC name is 4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
PubChem CID1162393
Molecular FormulaC22H15N3O4
Molecular Weight385.38 g/mol
Exact Mass385.11
IUPAC Name4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C22H15N3O4/c23-19(26)13-5-9-15(10-6-13)24-20(27)14-7-11-16(12-8-14)25-21(28)17-3-1-2-4-18(17)22(25)29/h1-12H,(H2,23,26)(H,24,27)
InChIKeyQAPMMCWVMIHXBB-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

4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
methyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]benzoate
CID 998530
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-4-nitrobenzamide
CID 3956330
N-[4-(cyanomethyl)phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9260093
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
3-bromo-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 22777543
4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 9402903
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108765885
4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 108762001
methyl 2-[4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]phenoxy]acetate
CID 4581069
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 56507056

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide?
The IUPAC name of 4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide (CID 1162393) is 4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide.
What is the SMILES notation for 4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide?
The canonical SMILES for 4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide is NC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1.
What is the InChIKey of 4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide?
The InChIKey is QAPMMCWVMIHXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O4/c23-19(26)13-5-9-15(10-6-13)24-20(27)14-7-11-16(12-8-14)25-21(28)17-3-1-2-4-18(17)22(25)29/h1-12H,(H2,23,26)(H,24,27).
What are the key properties of 4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide?
4-[[4-(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 4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 1162393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).