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162103519 molecular structure
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(3Z)-5-fluoro-3-[(4-methoxyphenyl)imino]-2,3-dihydro-1H-indol-2-one

ChemBase ID: 71111
Molecular Formular: C15H11FN2O2
Molecular Mass: 270.2584432
Monoisotopic Mass: 270.08045582
SMILES and InChIs

SMILES:
N1C(=O)/C(=N\c2ccc(cc2)OC)/c2cc(ccc12)F
Canonical SMILES:
COc1ccc(cc1)/N=C/1\C(=O)Nc2c1cc(F)cc2
InChI:
InChI=1S/C15H11FN2O2/c1-20-11-5-3-10(4-6-11)17-14-12-8-9(16)2-7-13(12)18-15(14)19/h2-8H,1H3,(H,17,18,19)
InChIKey:
YNBXJTVDBJNZSN-UHFFFAOYSA-N

Cite this record

CBID:71111 http://www.chembase.cn/molecule-71111.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3Z)-5-fluoro-3-[(4-methoxyphenyl)imino]-2,3-dihydro-1H-indol-2-one
IUPAC Traditional name
(3Z)-5-fluoro-3-[(4-methoxyphenyl)imino]-1H-indol-2-one
Synonyms
5-Fluoro-3-(4-methoxy-phenylimino)-1,3-dihydro-indol-2-one
PubChem SID
162103519
PubChem CID
71299825

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 71299825 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.171639  H Acceptors
H Donor LogD (pH = 5.5) 3.0983238 
LogD (pH = 7.4) 3.0976353  Log P 3.098333 
Molar Refractivity 75.9002 cm3 Polarizability 26.960028 Å3
Polar Surface Area 50.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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