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Chemical ID: 6828324
Chemical ID:
6828324
Name [?]:
3-fluoro-N-[(4-tert-butylphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C=NNC(=O)CNC(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C20H22FN3O2/c1-20(2,3)16-9-7-14(8-10-16)12-23-24-18(25)13-22-19(26)15-5-4-6-17(21)11-15/h4-12H,13H2,1-3H3,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,4,22,21,23,7,9,6,10,25,11,16,8,20,5,24,14,18,2,26,17,12,13,15,19/E:(1,2,3)(7,8)(9,10)/rA:26nCCCCCCCCCCCNNCOCNCOCCCCCCF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22FN3O2 |
All Atoms: | 48 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1159 |
Area: | 590.951 |
Solvation: | -4.65784 |
Coulombic: | -45.6078 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 355.406 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.14 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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