Chemical ID: 5646366

CC1CCN(CC1)CC(=O)Nc2ccc(cc2F)Br
Chemical ID:
5646366
Name [?]:
N-(4-bromo-2-fluoro-phenyl)-2-(4-methyl-1-piperidyl)-acetamide
SMILES [?]:
CC1CCN(CC1)CC(=O)Nc2ccc(cc2F)Br
InChi [?]:
InChI=1/C14H18BrFN2O/c1-10-4-6-18(7-5-10)9-14(19)17-13-3-2-11(15)8-12(13)16/h2-3,8,10H,4-7,9H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,14,13,3,7,4,6,16,8,2,15,17,12,9,19,18,11,5,10/E:(4,5)(6,7)/rA:19nCCCCNCCCCONCCCCCCFBr/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18BrFN2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.73098
Area:463.706
Solvation:-2.86166
Coulombic:-29.9252
Bond Count [?]
All:20
Single:16
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:329.208
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.13
LogP (Chemaxon):2.57

Name Annotations

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Descriptor Annotations

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