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2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-(1H-pyrazol-1-yl)benzamide

ChemBase ID: 321435
Molecular Formular: C17H20ClN3O2
Molecular Mass: 333.8126
Monoisotopic Mass: 333.12440458
SMILES and InChIs

SMILES:
c1(C(=O)N(CC2OCCC2)CC)cc(n2nccc2)ccc1Cl
Canonical SMILES:
CCN(C(=O)c1cc(ccc1Cl)n1cccn1)CC1CCCO1
InChI:
InChI=1S/C17H20ClN3O2/c1-2-20(12-14-5-3-10-23-14)17(22)15-11-13(6-7-16(15)18)21-9-4-8-19-21/h4,6-9,11,14H,2-3,5,10,12H2,1H3
InChIKey:
XMAYTOZPTCGQIA-UHFFFAOYSA-N

Cite this record

CBID:321435 http://www.chembase.cn/molecule-321435.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-(1H-pyrazol-1-yl)benzamide
IUPAC Traditional name
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-(pyrazol-1-yl)benzamide
Synonyms
2-chloro-N-ethyl-5-(1H-pyrazol-1-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11151514 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.7364411  LogD (pH = 7.4) 2.7364976 
Log P 2.7364984  Molar Refractivity 91.0996 cm3
Polarizability 34.975803 Å3 Polar Surface Area 47.36 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.97  LOG S -3.32 
Polar Surface Area 47.36 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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