2-[carbonochloridoyl(propyl)amino]-2-oxoacetyl chloride

C6H7Cl2NO3 — CID 131863368

IUPAC2-[carbonochloridoyl(propyl)amino]-2-oxoacetyl chloride
SMILESCCCN(C(=O)Cl)C(=O)C(=O)Cl
InChIInChI=1S/C6H7Cl2NO3/c1-2-3-9(6(8)12)5(11)4(7)10/h2-3H2,1H3
InChIKeyYHRCZBFGRBNRHO-UHFFFAOYSA-N
MW212.03 g/mol
LogP1.35
Rot. Bonds3

About 2-[carbonochloridoyl(propyl)amino]-2-oxoacetyl chloride

2-[carbonochloridoyl(propyl)amino]-2-oxoacetyl chloride (PubChem CID 131863368) has the molecular formula C6H7Cl2NO3 and a molecular weight of 212.03 g/mol. Its IUPAC name is 2-[carbonochloridoyl(propyl)amino]-2-oxoacetyl chloride.

Molecular Properties

Compound Name2-[carbonochloridoyl(propyl)amino]-2-oxoacetyl chloride
PubChem CID131863368
Molecular FormulaC6H7Cl2NO3
Molecular Weight212.03 g/mol
Exact Mass210.98
IUPAC Name2-[carbonochloridoyl(propyl)amino]-2-oxoacetyl chloride
SMILESCCCN(C(=O)Cl)C(=O)C(=O)Cl
InChIInChI=1S/C6H7Cl2NO3/c1-2-3-9(6(8)12)5(11)4(7)10/h2-3H2,1H3
InChIKeyYHRCZBFGRBNRHO-UHFFFAOYSA-N
XLogP1.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[carbonochloridoyl(propyl)amino]-2-oxoacetyl chloride?
The IUPAC name of 2-[carbonochloridoyl(propyl)amino]-2-oxoacetyl chloride (CID 131863368) is 2-[carbonochloridoyl(propyl)amino]-2-oxoacetyl chloride.
What is the SMILES notation for 2-[carbonochloridoyl(propyl)amino]-2-oxoacetyl chloride?
The canonical SMILES for 2-[carbonochloridoyl(propyl)amino]-2-oxoacetyl chloride is CCCN(C(=O)Cl)C(=O)C(=O)Cl.
What is the InChIKey of 2-[carbonochloridoyl(propyl)amino]-2-oxoacetyl chloride?
The InChIKey is YHRCZBFGRBNRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2NO3/c1-2-3-9(6(8)12)5(11)4(7)10/h2-3H2,1H3.
What are the key properties of 2-[carbonochloridoyl(propyl)amino]-2-oxoacetyl chloride?
2-[carbonochloridoyl(propyl)amino]-2-oxoacetyl chloride has a molecular weight of 212.03 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbonochloridoyl(propyl)amino]-2-oxoacetyl chloride is sourced from PubChem (CID 131863368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).