Chemical ID: 5783324

Cc1ccc(cc1)C(=NNC(=O)CNC(=O)c2cccc(c2)F)C
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

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Descriptor Annotations

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