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4-fluoro-N-(2-{[1-(furan-2-ylmethyl)piperidin-3-yl]formamido}ethyl)benzamide

ChemBase ID: 510230
Molecular Formular: C20H24FN3O3
Molecular Mass: 373.4212632
Monoisotopic Mass: 373.18016986
SMILES and InChIs

SMILES:
C1(C(=O)NCCNC(=O)c2ccc(cc2)F)CN(Cc2occc2)CCC1
Canonical SMILES:
O=C(C1CCCN(C1)Cc1ccco1)NCCNC(=O)c1ccc(cc1)F
InChI:
InChI=1S/C20H24FN3O3/c21-17-7-5-15(6-8-17)19(25)22-9-10-23-20(26)16-3-1-11-24(13-16)14-18-4-2-12-27-18/h2,4-8,12,16H,1,3,9-11,13-14H2,(H,22,25)(H,23,26)
InChIKey:
GPTOMRMYPQNZLY-UHFFFAOYSA-N

Cite this record

CBID:510230 http://www.chembase.cn/molecule-510230.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-fluoro-N-(2-{[1-(furan-2-ylmethyl)piperidin-3-yl]formamido}ethyl)benzamide
IUPAC Traditional name
4-fluoro-N-(2-{[1-(furan-2-ylmethyl)piperidin-3-yl]formamido}ethyl)benzamide
Synonyms
N-{2-[(4-fluorobenzoyl)amino]ethyl}-1-(2-furylmethyl)-3-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40494694 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)
Acid pKa 14.330762  H Acceptors
H Donor LogD (pH = 5.5) -1.3056515 
LogD (pH = 7.4) 0.428205  Log P 1.63938 
Molar Refractivity 100.2189 cm3 Polarizability 37.90161 Å3
Polar Surface Area 74.58 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.92  LOG S -3.56 
Polar Surface Area 74.58 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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