N-carbonochloridoyl-N-cyclohexylcarbamoyl chloride

C8H11Cl2NO2 — CID 21400252

IUPACN-carbonochloridoyl-N-cyclohexylcarbamoyl chloride
SMILESO=C(Cl)N(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C8H11Cl2NO2/c9-7(12)11(8(10)13)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyYJFBQAVICWDKHD-UHFFFAOYSA-N
MW224.09 g/mol
LogP3.34
Rot. Bonds1

About N-carbonochloridoyl-N-cyclohexylcarbamoyl chloride

N-carbonochloridoyl-N-cyclohexylcarbamoyl chloride (PubChem CID 21400252) has the molecular formula C8H11Cl2NO2 and a molecular weight of 224.09 g/mol. Its IUPAC name is N-carbonochloridoyl-N-cyclohexylcarbamoyl chloride.

Molecular Properties

Compound NameN-carbonochloridoyl-N-cyclohexylcarbamoyl chloride
PubChem CID21400252
Molecular FormulaC8H11Cl2NO2
Molecular Weight224.09 g/mol
Exact Mass223.02
IUPAC NameN-carbonochloridoyl-N-cyclohexylcarbamoyl chloride
SMILESO=C(Cl)N(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C8H11Cl2NO2/c9-7(12)11(8(10)13)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyYJFBQAVICWDKHD-UHFFFAOYSA-N
XLogP3.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 53.34
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-cyclohexylcarbamoyl chloride?
The IUPAC name of N-carbonochloridoyl-N-cyclohexylcarbamoyl chloride (CID 21400252) is N-carbonochloridoyl-N-cyclohexylcarbamoyl chloride.
What is the SMILES notation for N-carbonochloridoyl-N-cyclohexylcarbamoyl chloride?
The canonical SMILES for N-carbonochloridoyl-N-cyclohexylcarbamoyl chloride is O=C(Cl)N(C(=O)Cl)C1CCCCC1.
What is the InChIKey of N-carbonochloridoyl-N-cyclohexylcarbamoyl chloride?
The InChIKey is YJFBQAVICWDKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2NO2/c9-7(12)11(8(10)13)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of N-carbonochloridoyl-N-cyclohexylcarbamoyl chloride?
N-carbonochloridoyl-N-cyclohexylcarbamoyl chloride has a molecular weight of 224.09 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbonochloridoyl-N-cyclohexylcarbamoyl chloride is sourced from PubChem (CID 21400252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).