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1073608-18-0 molecular structure
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5-chloro-N-(2H11)cyclohexylpentanamide

ChemBase ID: 164126
Molecular Formular: C11H20ClNO
Molecular Mass: 217.7356
Monoisotopic Mass: 217.12334195
SMILES and InChIs

SMILES:
N(C1CCCCC1)C(=O)CCCCCl
Canonical SMILES:
ClCCCCC(=O)NC1CCCCC1
InChI:
InChI=1S/C11H20ClNO/c12-9-5-4-8-11(14)13-10-6-2-1-3-7-10/h10H,1-9H2,(H,13,14)
InChIKey:
OBOBOCFRZMDIDG-UHFFFAOYSA-N

Cite this record

CBID:164126 http://www.chembase.cn/molecule-164126.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-N-(2H11)cyclohexylpentanamide
IUPAC Traditional name
5-chloro-N-(2H11)cyclohexylpentanamide
Synonyms
5-Chloro-N-cyclohexyl-valeramide-d11
5-Chloro-N-cyclohexylvaleramide-d11
N-Cyclohexyl-5-chloropentanamide-d11
5-Chloro-N-cyclohexylpentanamide-d11
CAS Number
1073608-18-0
PubChem SID
162258261
PubChem CID
57575061

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC C364957 external link Add to cart
PubChem 57575061 external link
Data Source Data ID Price
TRC
C364957 external link Add to cart Please log in.
Data Source Data ID
PubChem 57575061 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.39106  H Acceptors
H Donor LogD (pH = 5.5) 2.50024 
LogD (pH = 7.4) 2.5002446  Log P 2.5002446 
Molar Refractivity 59.1854 cm3 Polarizability 23.295063 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
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MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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