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314022-37-2 molecular structure
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3-fluoro-N-(4-iodo-2-methylphenyl)benzamide

ChemBase ID: 311070
Molecular Formular: C14H11FINO
Molecular Mass: 355.1461132
Monoisotopic Mass: 354.9869402
SMILES and InChIs

SMILES:
C(=O)(Nc1c(cc(cc1)I)C)c1cc(F)ccc1
Canonical SMILES:
Ic1ccc(c(c1)C)NC(=O)c1cccc(c1)F
InChI:
InChI=1S/C14H11FINO/c1-9-7-12(16)5-6-13(9)17-14(18)10-3-2-4-11(15)8-10/h2-8H,1H3,(H,17,18)
InChIKey:
XVBGNVVKCZERCV-UHFFFAOYSA-N

Cite this record

CBID:311070 http://www.chembase.cn/molecule-311070.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-fluoro-N-(4-iodo-2-methylphenyl)benzamide
IUPAC Traditional name
3-fluoro-N-(4-iodo-2-methylphenyl)benzamide
Synonyms
3-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CAS Number
314022-37-2
MDL Number
MFCD00783364

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.6501985  LogD (pH = 7.4) 4.6501975 
Log P 4.6501985  Molar Refractivity 80.2116 cm3
Polarizability 29.518618 Å3 Polar Surface Area 29.1 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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