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4-[(2,2-dimethylpropyl)amino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one

ChemBase ID: 410257
Molecular Formular: C16H23FN2O
Molecular Mass: 278.3650232
Monoisotopic Mass: 278.17944159
SMILES and InChIs

SMILES:
N1(C(=O)CC(C1)NCC(C)(C)C)Cc1cc(F)ccc1
Canonical SMILES:
Fc1cccc(c1)CN1CC(CC1=O)NCC(C)(C)C
InChI:
InChI=1S/C16H23FN2O/c1-16(2,3)11-18-14-8-15(20)19(10-14)9-12-5-4-6-13(17)7-12/h4-7,14,18H,8-11H2,1-3H3
InChIKey:
WNZFJDAKURZHSD-UHFFFAOYSA-N

Cite this record

CBID:410257 http://www.chembase.cn/molecule-410257.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(2,2-dimethylpropyl)amino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
IUPAC Traditional name
4-[(2,2-dimethylpropyl)amino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
Synonyms
4-[(2,2-dimethylpropyl)amino]-1-(3-fluorobenzyl)-2-pyrrolidinone

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.62682086  LogD (pH = 7.4) 0.49790734 
Log P 2.5402484  Molar Refractivity 77.7655 cm3
Polarizability 30.397373 Å3 Polar Surface Area 32.34 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.56  LOG S -2.24 
Polar Surface Area 32.34 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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