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Chemical ID: 5553472
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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