Home > Compound List > Compound details
 molecular structure
click picture or here to close

1-[(2,6-difluorophenyl)methyl]-5-(2-{[(3-methylphenyl)methyl]amino}ethyl)pyrrolidin-2-one

ChemBase ID: 370183
Molecular Formular: C21H24F2N2O
Molecular Mass: 358.4248664
Monoisotopic Mass: 358.18566984
SMILES and InChIs

SMILES:
N1(Cc2c(F)cccc2F)C(=O)CCC1CCNCc1cc(ccc1)C
Canonical SMILES:
Cc1cccc(c1)CNCCC1CCC(=O)N1Cc1c(F)cccc1F
InChI:
InChI=1S/C21H24F2N2O/c1-15-4-2-5-16(12-15)13-24-11-10-17-8-9-21(26)25(17)14-18-19(22)6-3-7-20(18)23/h2-7,12,17,24H,8-11,13-14H2,1H3
InChIKey:
HOJVJOXRWCYYBY-UHFFFAOYSA-N

Cite this record

CBID:370183 http://www.chembase.cn/molecule-370183.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(2,6-difluorophenyl)methyl]-5-(2-{[(3-methylphenyl)methyl]amino}ethyl)pyrrolidin-2-one
IUPAC Traditional name
1-[(2,6-difluorophenyl)methyl]-5-(2-{[(3-methylphenyl)methyl]amino}ethyl)pyrrolidin-2-one
Synonyms
1-(2,6-difluorobenzyl)-5-{2-[(3-methylbenzyl)amino]ethyl}-2-pyrrolidinone

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 18233860 external link Add to cart
Data Source Data ID Price
ChemBridge
18233860 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 0.44883606  LogD (pH = 7.4) 1.3767917 
Log P 3.6471617  Molar Refractivity 99.1138 cm3
Polarizability 37.73169 Å3 Polar Surface Area 32.34 Å2
Rotatable Bonds H Acceptors
H Donor Log P 3.86 
LOG S -3.69  Polar Surface Area 32.34 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle