N-cyclohexylcarbamoyl chloride

C7H12ClNO — CID 22252134

IUPACN-cyclohexylcarbamoyl chloride
SMILESO=C(Cl)NC1CCCCC1
InChIInChI=1S/C7H12ClNO/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)
InChIKeyFOZLEFALTUHOLA-UHFFFAOYSA-N
MW161.63 g/mol
LogP2.27
Rot. Bonds1

About N-cyclohexylcarbamoyl chloride

N-cyclohexylcarbamoyl chloride (PubChem CID 22252134) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is N-cyclohexylcarbamoyl chloride.

Molecular Properties

Compound NameN-cyclohexylcarbamoyl chloride
PubChem CID22252134
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC NameN-cyclohexylcarbamoyl chloride
SMILESO=C(Cl)NC1CCCCC1
InChIInChI=1S/C7H12ClNO/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)
InChIKeyFOZLEFALTUHOLA-UHFFFAOYSA-N
XLogP2.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
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CID 172719994
2-chloro-N-cyclododecylacetamide
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1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
(Z)-N,N'-dicyclohexylbut-2-enediamide
CID 139188308
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2-chloro-N-cyclohexyl-2-cyclopentylacetamide
CID 62224252

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcarbamoyl chloride?
The IUPAC name of N-cyclohexylcarbamoyl chloride (CID 22252134) is N-cyclohexylcarbamoyl chloride.
What is the SMILES notation for N-cyclohexylcarbamoyl chloride?
The canonical SMILES for N-cyclohexylcarbamoyl chloride is O=C(Cl)NC1CCCCC1.
What is the InChIKey of N-cyclohexylcarbamoyl chloride?
The InChIKey is FOZLEFALTUHOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10).
What are the key properties of N-cyclohexylcarbamoyl chloride?
N-cyclohexylcarbamoyl chloride has a molecular weight of 161.63 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcarbamoyl chloride is sourced from PubChem (CID 22252134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).