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Chemical ID: 5801628
Chemical ID:
5801628
Name [?]:
4-fluoro-N-[3-(4-fluorobenzoyl)amino-2,4,6-trimethyl-phenyl]-benzamide
SMILES [?]:
Cc1cc(c(c(c1NC(=O)c2ccc(cc2)F)C)NC(=O)c3ccc(cc3)F)C
InChi [?]:
InChI=1/C23H20F2N2O2/c1-13-12-14(2)21(27-23(29)17-6-10-19(25)11-7-17)15(3)20(13)26-22(28)16-4-8-18(24)9-5-16/h4-12H,1-3H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,29,18,12,16,23,27,13,15,24,26,3,2,4,6,11,22,14,25,7,5,9,20,17,28,8,19,10,21/E:(1,2)(4,5,6,7)(8,9,10,11)(13,14)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)/gE:(1,2)/rA:29nCCCCCCCNCOCCCCCCFCNCOCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s6;s5;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20F2N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.75062 |
Area: | 597.107 |
Solvation: | -5.17706 |
Coulombic: | -49.9501 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 394.414 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.96 |
LogP (Chemaxon): | 3.24 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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