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Chemical ID: 5783324
Chemical ID:
5783324
Name [?]:
3-fluoro-N-[1-(p-tolyl)ethylideneaminocarbamoylmethyl]benzamide
SMILES [?]:
Cc1ccc(cc1)C(=NNC(=O)CNC(=O)c2cccc(c2)F)C
InChi [?]:
InChI=1/C18H18FN3O2/c1-12-6-8-14(9-7-12)13(2)21-22-17(23)11-20-18(24)15-4-3-5-16(19)10-15/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,19,18,20,3,7,4,6,22,13,2,8,5,17,21,11,15,23,14,9,10,12,16/E:(6,7)(8,9)/rA:24nCCCCCCCCNNCOCNCOCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18FN3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.2931 |
Area: | 553.637 |
Solvation: | -4.54783 |
Coulombic: | -44.8438 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 327.353 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.91 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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