N-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide

C22H17N3O3 — CID 10361853

IUPACN-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1cc2c(cc1Nc1ccccc1)C(=O)NC2=O
InChIInChI=1S/C22H17N3O3/c1-14(26)25(16-10-6-3-7-11-16)20-13-18-17(21(27)24-22(18)28)12-19(20)23-15-8-4-2-5-9-15/h2-13,23H,1H3,(H,24,27,28)
InChIKeyHLLXEUNKQFCLRG-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.00
Rot. Bonds4

About N-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide

N-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide (PubChem CID 10361853) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide
PubChem CID10361853
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1cc2c(cc1Nc1ccccc1)C(=O)NC2=O
InChIInChI=1S/C22H17N3O3/c1-14(26)25(16-10-6-3-7-11-16)20-13-18-17(21(27)24-22(18)28)12-19(20)23-15-8-4-2-5-9-15/h2-13,23H,1H3,(H,24,27,28)
InChIKeyHLLXEUNKQFCLRG-UHFFFAOYSA-N
XLogP4.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.00
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 N-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide?
The IUPAC name of N-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide (CID 10361853) is N-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide.
What is the SMILES notation for N-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide?
The canonical SMILES for N-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide is CC(=O)N(c1ccccc1)c1cc2c(cc1Nc1ccccc1)C(=O)NC2=O.
What is the InChIKey of N-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide?
The InChIKey is HLLXEUNKQFCLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-14(26)25(16-10-6-3-7-11-16)20-13-18-17(21(27)24-22(18)28)12-19(20)23-15-8-4-2-5-9-15/h2-13,23H,1H3,(H,24,27,28).
What are the key properties of N-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide?
N-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide has a molecular weight of 371.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide is sourced from PubChem (CID 10361853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).