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220551-92-8 molecular structure
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N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide

ChemBase ID: 126850
Molecular Formular: C23H22FNO4
Molecular Mass: 395.4234832
Monoisotopic Mass: 395.15328641
SMILES and InChIs

SMILES:
c1ccccc1Oc1ccc(F)cc1N(C(=O)C)Cc1cc(OC)ccc1OC
Canonical SMILES:
COc1ccc(c(c1)CN(c1cc(F)ccc1Oc1ccccc1)C(=O)C)OC
InChI:
InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
InChIKey:
DCRZYADKQRHHSF-UHFFFAOYSA-N

Cite this record

CBID:126850 http://www.chembase.cn/molecule-126850.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
IUPAC Traditional name
N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
Synonyms
DAA-1106
CAS Number
220551-92-8
PubChem SID
162221177
PubChem CID
10430788
Chemspider ID
8606215
Wikipedia Title
DAA-1106

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.127142  LogD (pH = 7.4) 4.127142 
Log P 4.127142  Molar Refractivity 108.0331 cm3
Polarizability 41.66005 Å3 Polar Surface Area 48.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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