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4-fluorofentanyl

PropertiesImage
MNX_IDMNXM37452 Image of MNXM37452
referencechebi:61074
formulaC22H27FN2O
global charge0
mol weight354.469
InChIKeyKXUBAVLIJFTASZ-UHFFFAOYSA-N
InChIInChI=1S/C22H27FN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3
SMILESCCC(=O)N(C1=CC=C(F)C=C1)C1CCN(CCC2=CC=CC=C2)CC1
MNX internals
InChI (mnx)InChI=1/C22H27FN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3 Image of MNXM37452
SMILES (mnx)[CH3:1][CH2:2][C:22]([N:25]([C:20]1=[CH:11][CH:9]=[C:19]([F:23])[CH:8]=[CH:10]1)[CH:21]1[CH2:13][CH2:16][N:24]([CH2:15][CH2:12][C:18]2=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]2)[CH2:17][CH2:14]1)=[O:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:61074
chebi:61074
KXUBAVLIJFTASZ-UHFFFAOYSA-N 		4-fluorofentanyl
N-(4-Fluorophenyl)-N-(1-(2-phenylethyl)-4-piperidinyl)propanamide
N-(4-fluorophenyl)-N-[1-(2-phenylethyl)-4-piperidinyl]propanamide
N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
p-fluorofentanyl
pFF
para-fluorofentanyl
parafluorofentanyl

kegg.compound:C22769
keggC:C22769
KXUBAVLIJFTASZ-UHFFFAOYSA-N 		p-Fluorofentanyl
4-Fluoro-N-(1-phenethyl-4-piperidyl)propionanilide
Parafluorofentanyl
hmdb:HMDB0256037
KXUBAVLIJFTASZ-UHFFFAOYSA-N 		p-Fluorofentanyl
4-Fluorofentanyl
N-(4-Fluorophenyl)-N-(1-(2-phenylethyl)-4-piperidinyl)propanamide
N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
P-Fluorofentanyl
parafluorofentanyl

keggC:M_C22769 		secondary/obsolete/fantasy identifier