Chemical ID: 5553472

CN(CCC(=O)Nc1ccc(cc1)F)Cc2ccccc2
Chemical ID:
5553472
Name [?]:
3-(benzyl-methyl-amino)-N-(4-fluorophenyl)-propanamide
SMILES [?]:
CN(CCC(=O)Nc1ccc(cc1)F)Cc2ccccc2
InChi [?]:
InChI=1/C17H19FN2O/c1-20(13-14-5-3-2-4-6-14)12-11-17(21)19-16-9-7-15(18)8-10-16/h2-10H,11-13H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,21,10,12,9,13,4,3,15,16,11,8,5,14,7,2,6/E:(3,4)(5,6)(7,8)(9,10)/rA:21cCNCCCONCCCCCCFCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;s2;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19FN2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.16518
Area:499.066
Solvation:-3.31146
Coulombic:-30.1323
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.344
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.83
LogP (Chemaxon):3.34

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