N-(chloromethoxy)nitrous amide

CH3ClN2O2 — CID 90685769

IUPACN-(chloromethoxy)nitrous amide
SMILESO=NNOCCl
InChIInChI=1S/CH3ClN2O2/c2-1-6-4-3-5/h1H2,(H,4,5)
InChIKeyDNXWEBWUUHVMGO-UHFFFAOYSA-N
MW110.50 g/mol
LogP0.39
Rot. Bonds3

About N-(chloromethoxy)nitrous amide

N-(chloromethoxy)nitrous amide (PubChem CID 90685769) has the molecular formula CH3ClN2O2 and a molecular weight of 110.50 g/mol. Its IUPAC name is N-(chloromethoxy)nitrous amide.

Molecular Properties

Compound NameN-(chloromethoxy)nitrous amide
PubChem CID90685769
Molecular FormulaCH3ClN2O2
Molecular Weight110.50 g/mol
Exact Mass109.99
IUPAC NameN-(chloromethoxy)nitrous amide
SMILESO=NNOCCl
InChIInChI=1S/CH3ClN2O2/c2-1-6-4-3-5/h1H2,(H,4,5)
InChIKeyDNXWEBWUUHVMGO-UHFFFAOYSA-N
XLogP0.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.50
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(chloromethoxy)nitrous amide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(chloromethoxy)nitrous amide?
The IUPAC name of N-(chloromethoxy)nitrous amide (CID 90685769) is N-(chloromethoxy)nitrous amide.
What is the SMILES notation for N-(chloromethoxy)nitrous amide?
The canonical SMILES for N-(chloromethoxy)nitrous amide is O=NNOCCl.
What is the InChIKey of N-(chloromethoxy)nitrous amide?
The InChIKey is DNXWEBWUUHVMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3ClN2O2/c2-1-6-4-3-5/h1H2,(H,4,5).
What are the key properties of N-(chloromethoxy)nitrous amide?
N-(chloromethoxy)nitrous amide has a molecular weight of 110.50 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethoxy)nitrous amide is sourced from PubChem (CID 90685769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).