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4,4,4-trifluoro-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]butanamide

ChemBase ID: 470380
Molecular Formular: C19H19F3N2O2
Molecular Mass: 364.3615696
Monoisotopic Mass: 364.13986252
SMILES and InChIs

SMILES:
N1(C(=O)CC(C1)NC(=O)CCC(F)(F)F)Cc1c2c(ccc1)cccc2
Canonical SMILES:
O=C(NC1CC(=O)N(C1)Cc1cccc2c1cccc2)CCC(F)(F)F
InChI:
InChI=1S/C19H19F3N2O2/c20-19(21,22)9-8-17(25)23-15-10-18(26)24(12-15)11-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,15H,8-12H2,(H,23,25)
InChIKey:
LBEFYIPXFHGRRB-UHFFFAOYSA-N

Cite this record

CBID:470380 http://www.chembase.cn/molecule-470380.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,4,4-trifluoro-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]butanamide
IUPAC Traditional name
4,4,4-trifluoro-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]butanamide
Synonyms
4,4,4-trifluoro-N-[1-(1-naphthylmethyl)-5-oxo-3-pyrrolidinyl]butanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.173042  H Acceptors
H Donor LogD (pH = 5.5) 2.4862514 
LogD (pH = 7.4) 2.4862506  Log P 2.4862514 
Molar Refractivity 90.5374 cm3 Polarizability 35.250347 Å3
Polar Surface Area 49.41 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.9  LOG S -4.1 
Polar Surface Area 49.41 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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