N-carbamoyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide

C11H8N4O6 — CID 2704913

IUPACN-carbamoyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
SMILESNC(=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O
InChIInChI=1S/C11H8N4O6/c12-11(19)13-7(16)4-14-9(17)5-2-1-3-6(15(20)21)8(5)10(14)18/h1-3H,4H2,(H3,12,13,16,19)
InChIKeySBPUJNZPMXXHCL-UHFFFAOYSA-N
MW292.21 g/mol
LogP-0.61
Rot. Bonds3

About N-carbamoyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide

N-carbamoyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 2704913) has the molecular formula C11H8N4O6 and a molecular weight of 292.21 g/mol. Its IUPAC name is N-carbamoyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID2704913
Molecular FormulaC11H8N4O6
Molecular Weight292.21 g/mol
Exact Mass292.04
IUPAC NameN-carbamoyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
SMILESNC(=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O
InChIInChI=1S/C11H8N4O6/c12-11(19)13-7(16)4-14-9(17)5-2-1-3-6(15(20)21)8(5)10(14)18/h1-3H,4H2,(H3,12,13,16,19)
InChIKeySBPUJNZPMXXHCL-UHFFFAOYSA-N
XLogP-0.61
TPSA152.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-acetyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 130441943
2-[[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]-2-phenylacetamide
CID 55504954
N-butyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2704808
2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide
CID 845890
(2-amino-2-oxoethyl) 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate
CID 3364933
N-(2-bromophenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2705011
N-[(2R)-5-methylhexan-2-yl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 8882023
N-[2-(dimethylamino)ethyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 110839141
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2273870
N-(4-acetylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2705004
4-nitro-2-[4-(4-nitro-1,3-dioxoisoindol-2-yl)butyl]isoindole-1,3-dione
CID 3100255
2-(2,3-dimethylbut-2-enyl)-4-nitroisoindole-1,3-dione
CID 122210343

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide (CID 2704913) is N-carbamoyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide is NC(=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O.
What is the InChIKey of N-carbamoyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is SBPUJNZPMXXHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O6/c12-11(19)13-7(16)4-14-9(17)5-2-1-3-6(15(20)21)8(5)10(14)18/h1-3H,4H2,(H3,12,13,16,19).
What are the key properties of N-carbamoyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide?
N-carbamoyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 292.21 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 2704913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).