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N-(3-chloro-4-methoxyphenyl)-3-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]propanamide

ChemBase ID: 370322
Molecular Formular: C21H25ClN2O4
Molecular Mass: 404.8872
Monoisotopic Mass: 404.15028497
SMILES and InChIs

SMILES:
c1(C(=O)N2CC(CCC(=O)Nc3cc(c(cc3)OC)Cl)CCC2)c(occ1)C
Canonical SMILES:
COc1ccc(cc1Cl)NC(=O)CCC1CCCN(C1)C(=O)c1ccoc1C
InChI:
InChI=1S/C21H25ClN2O4/c1-14-17(9-11-28-14)21(26)24-10-3-4-15(13-24)5-8-20(25)23-16-6-7-19(27-2)18(22)12-16/h6-7,9,11-12,15H,3-5,8,10,13H2,1-2H3,(H,23,25)
InChIKey:
GPOODVZHSFLSQP-UHFFFAOYSA-N

Cite this record

CBID:370322 http://www.chembase.cn/molecule-370322.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-chloro-4-methoxyphenyl)-3-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]propanamide
IUPAC Traditional name
N-(3-chloro-4-methoxyphenyl)-3-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]propanamide
Synonyms
N-(3-chloro-4-methoxyphenyl)-3-[1-(2-methyl-3-furoyl)-3-piperidinyl]propanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.42627  H Acceptors
H Donor LogD (pH = 5.5) 3.2759547 
LogD (pH = 7.4) 3.275955  Log P 3.275955 
Molar Refractivity 109.6192 cm3 Polarizability 41.04933 Å3
Polar Surface Area 71.78 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.22  LOG S -5.38 
Polar Surface Area 71.78 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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