N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide

C9H9Cl2N3O — CID 46780454

IUPACN-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide
SMILES[15NH2][13C]([15NH2])=[15N]C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)/i9+1,12+1,13+1,14+1
InChIKeyINJOMKTZOLKMBF-DATIIYMNSA-N
MW250.07 g/mol
LogP1.34
Rot. Bonds2

About N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide

N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide (PubChem CID 46780454) has the molecular formula C9H9Cl2N3O and a molecular weight of 250.07 g/mol. Its IUPAC name is N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide
PubChem CID46780454
Molecular FormulaC9H9Cl2N3O
Molecular Weight250.07 g/mol
Exact Mass249.01
IUPAC NameN-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide
SMILES[15NH2][13C]([15NH2])=[15N]C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)/i9+1,12+1,13+1,14+1
InChIKeyINJOMKTZOLKMBF-DATIIYMNSA-N
XLogP1.34
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.07
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide (CID 46780454) is N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide is [15NH2][13C]([15NH2])=[15N]C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is INJOMKTZOLKMBF-DATIIYMNSA-N. The full InChI is InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)/i9+1,12+1,13+1,14+1.
What are the key properties of N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide?
N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 250.07 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 46780454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).