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1-(2-{3-[(3-fluorophenyl)amino]piperidin-1-yl}-2-oxoethyl)imidazolidine-2,4-dione

ChemBase ID: 450250
Molecular Formular: C16H19FN4O3
Molecular Mass: 334.3454632
Monoisotopic Mass: 334.14411871
SMILES and InChIs

SMILES:
C1(=O)NC(=O)CN1CC(=O)N1CC(Nc2cc(F)ccc2)CCC1
Canonical SMILES:
O=C1NC(=O)N(C1)CC(=O)N1CCCC(C1)Nc1cccc(c1)F
InChI:
InChI=1S/C16H19FN4O3/c17-11-3-1-4-12(7-11)18-13-5-2-6-20(8-13)15(23)10-21-9-14(22)19-16(21)24/h1,3-4,7,13,18H,2,5-6,8-10H2,(H,19,22,24)
InChIKey:
OKOHHFPHVARBQF-UHFFFAOYSA-N

Cite this record

CBID:450250 http://www.chembase.cn/molecule-450250.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-{3-[(3-fluorophenyl)amino]piperidin-1-yl}-2-oxoethyl)imidazolidine-2,4-dione
IUPAC Traditional name
1-(2-{3-[(3-fluorophenyl)amino]piperidin-1-yl}-2-oxoethyl)imidazolidine-2,4-dione
Synonyms
1-(2-{3-[(3-fluorophenyl)amino]-1-piperidinyl}-2-oxoethyl)-2,4-imidazolidinedione

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)
Acid pKa 9.617745  H Acceptors
H Donor LogD (pH = 5.5) -0.23052227 
LogD (pH = 7.4) -0.22804329  Log P -0.2253861 
Molar Refractivity 85.3534 cm3 Polarizability 31.851503 Å3
Polar Surface Area 81.75 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.66  LOG S -2.2 
Polar Surface Area 81.75 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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