N-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide

C24H14N4O7 — CID 2937315

IUPACN-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C24H14N4O7/c29-19(12-26-21(30)15-10-9-14(28(34)35)11-17(15)22(26)31)25-18-8-4-7-16-20(18)24(33)27(23(16)32)13-5-2-1-3-6-13/h1-11H,12H2,(H,25,29)
InChIKeyPYYJJKTUXNTHFR-UHFFFAOYSA-N
MW470.40 g/mol
LogP2.63
Rot. Bonds5

About N-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide

N-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 2937315) has the molecular formula C24H14N4O7 and a molecular weight of 470.40 g/mol. Its IUPAC name is N-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID2937315
Molecular FormulaC24H14N4O7
Molecular Weight470.40 g/mol
Exact Mass470.09
IUPAC NameN-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C24H14N4O7/c29-19(12-26-21(30)15-10-9-14(28(34)35)11-17(15)22(26)31)25-18-8-4-7-16-20(18)24(33)27(23(16)32)13-5-2-1-3-6-13/h1-11H,12H2,(H,25,29)
InChIKeyPYYJJKTUXNTHFR-UHFFFAOYSA-N
XLogP2.63
TPSA147.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanophenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2706886
N-(2-ethoxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 1300340
2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-4-nitrophenyl)acetamide
CID 2878056
N-(3-methylphenyl)-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
CID 34311901
N-benzhydryl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 1342103
4-hydroxy-3-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid
CID 108730226
N-(5-chloro-2-fluorophenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 8820768
N-(2-methoxy-5-methylphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2581330
N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 16797171
N-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide
CID 1041271
N-(3-methylsulfanylphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2414610
2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate
CID 3712827

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide (CID 2937315) is N-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of N-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is PYYJJKTUXNTHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O7/c29-19(12-26-21(30)15-10-9-14(28(34)35)11-17(15)22(26)31)25-18-8-4-7-16-20(18)24(33)27(23(16)32)13-5-2-1-3-6-13/h1-11H,12H2,(H,25,29).
What are the key properties of N-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
N-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 470.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 2937315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).