N-(2-chlorophenyl)-N-methoxynitramide

C7H7ClN2O3 — CID 90776138

IUPACN-(2-chlorophenyl)-N-methoxynitramide
SMILESCON(c1ccccc1Cl)[N+](=O)[O-]
InChIInChI=1S/C7H7ClN2O3/c1-13-9(10(11)12)7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKeyQXHJSXWCPOLCKS-UHFFFAOYSA-N
MW202.60 g/mol
LogP1.90
Rot. Bonds3

About N-(2-chlorophenyl)-N-methoxynitramide

N-(2-chlorophenyl)-N-methoxynitramide (PubChem CID 90776138) has the molecular formula C7H7ClN2O3 and a molecular weight of 202.60 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-methoxynitramide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-methoxynitramide
PubChem CID90776138
Molecular FormulaC7H7ClN2O3
Molecular Weight202.60 g/mol
Exact Mass202.01
IUPAC NameN-(2-chlorophenyl)-N-methoxynitramide
SMILESCON(c1ccccc1Cl)[N+](=O)[O-]
InChIInChI=1S/C7H7ClN2O3/c1-13-9(10(11)12)7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKeyQXHJSXWCPOLCKS-UHFFFAOYSA-N
XLogP1.90
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-methoxynitramide?
The IUPAC name of N-(2-chlorophenyl)-N-methoxynitramide (CID 90776138) is N-(2-chlorophenyl)-N-methoxynitramide.
What is the SMILES notation for N-(2-chlorophenyl)-N-methoxynitramide?
The canonical SMILES for N-(2-chlorophenyl)-N-methoxynitramide is CON(c1ccccc1Cl)[N+](=O)[O-].
What is the InChIKey of N-(2-chlorophenyl)-N-methoxynitramide?
The InChIKey is QXHJSXWCPOLCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O3/c1-13-9(10(11)12)7-5-3-2-4-6(7)8/h2-5H,1H3.
What are the key properties of N-(2-chlorophenyl)-N-methoxynitramide?
N-(2-chlorophenyl)-N-methoxynitramide has a molecular weight of 202.60 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-methoxynitramide is sourced from PubChem (CID 90776138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).