N-carbonochloridoyl-N-methylcarbamoyl chloride

C3H3Cl2NO2 — CID 15555334

IUPACN-carbonochloridoyl-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C(=O)Cl
InChIInChI=1S/C3H3Cl2NO2/c1-6(2(4)7)3(5)8/h1H3
InChIKeyZCLVKRFCNWGTIS-UHFFFAOYSA-N
MW155.97 g/mol
LogP1.64
Rot. Bonds

About N-carbonochloridoyl-N-methylcarbamoyl chloride

N-carbonochloridoyl-N-methylcarbamoyl chloride (PubChem CID 15555334) has the molecular formula C3H3Cl2NO2 and a molecular weight of 155.97 g/mol. Its IUPAC name is N-carbonochloridoyl-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-carbonochloridoyl-N-methylcarbamoyl chloride
PubChem CID15555334
Molecular FormulaC3H3Cl2NO2
Molecular Weight155.97 g/mol
Exact Mass154.95
IUPAC NameN-carbonochloridoyl-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C(=O)Cl
InChIInChI=1S/C3H3Cl2NO2/c1-6(2(4)7)3(5)8/h1H3
InChIKeyZCLVKRFCNWGTIS-UHFFFAOYSA-N
XLogP1.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.97
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-carbonochloridoyl-N-methylcarbamoyl chloride?
The IUPAC name of N-carbonochloridoyl-N-methylcarbamoyl chloride (CID 15555334) is N-carbonochloridoyl-N-methylcarbamoyl chloride.
What is the SMILES notation for N-carbonochloridoyl-N-methylcarbamoyl chloride?
The canonical SMILES for N-carbonochloridoyl-N-methylcarbamoyl chloride is CN(C(=O)Cl)C(=O)Cl.
What is the InChIKey of N-carbonochloridoyl-N-methylcarbamoyl chloride?
The InChIKey is ZCLVKRFCNWGTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl2NO2/c1-6(2(4)7)3(5)8/h1H3.
What are the key properties of N-carbonochloridoyl-N-methylcarbamoyl chloride?
N-carbonochloridoyl-N-methylcarbamoyl chloride has a molecular weight of 155.97 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbonochloridoyl-N-methylcarbamoyl chloride is sourced from PubChem (CID 15555334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).