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Chemical ID: 6526495
Chemical ID:
6526495
Name [?]:
4-fluoro-N-[3-(4-fluorobenzoyl)amino-2-methyl-phenyl]-benzamide
SMILES [?]:
Cc1c(cccc1NC(=O)c2ccc(cc2)F)NC(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C21H16F2N2O2/c1-13-18(24-20(26)14-5-9-16(22)10-6-14)3-2-4-19(13)25-21(27)15-7-11-17(23)12-8-15/h2-12H,1H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,5,4,6,22,26,12,16,23,25,13,15,2,21,11,24,14,3,7,19,9,27,17,18,8,20,10/E:(3,4)(5,6,7,8)(9,10,11,12)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/gE:(1,2)/rA:27nCCCCCCCNCOCCCCCCFNCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s3;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16F2N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.191 |
Area: | 563.354 |
Solvation: | -4.89286 |
Coulombic: | -50.6726 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 366.361 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.51 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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