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N-[2-(dimethylamino)ethyl]-4-fluoro-2-methyl-N-(thiophen-3-ylmethyl)benzamide

ChemBase ID: 370499
Molecular Formular: C17H21FN2OS
Molecular Mass: 320.4248432
Monoisotopic Mass: 320.13586252
SMILES and InChIs

SMILES:
C(=O)(c1c(cc(cc1)F)C)N(Cc1cscc1)CCN(C)C
Canonical SMILES:
CN(CCN(C(=O)c1ccc(cc1C)F)Cc1cscc1)C
InChI:
InChI=1S/C17H21FN2OS/c1-13-10-15(18)4-5-16(13)17(21)20(8-7-19(2)3)11-14-6-9-22-12-14/h4-6,9-10,12H,7-8,11H2,1-3H3
InChIKey:
XOKXOAYXKMSTCX-UHFFFAOYSA-N

Cite this record

CBID:370499 http://www.chembase.cn/molecule-370499.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(dimethylamino)ethyl]-4-fluoro-2-methyl-N-(thiophen-3-ylmethyl)benzamide
IUPAC Traditional name
N-[2-(dimethylamino)ethyl]-4-fluoro-2-methyl-N-(thiophen-3-ylmethyl)benzamide
Synonyms
N-[2-(dimethylamino)ethyl]-4-fluoro-2-methyl-N-(3-thienylmethyl)benzamide

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)
H Acceptors H Donor
LogD (pH = 5.5) 0.5970443  LogD (pH = 7.4) 2.3525062 
Log P 3.450921  Molar Refractivity 89.9249 cm3
Polarizability 33.564774 Å3 Polar Surface Area 23.55 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.67  LOG S -4.67 
Polar Surface Area 23.55 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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