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Chemical ID: 6526492
Chemical ID:
6526492
Name [?]:
2-fluoro-N-[3-(2-fluorobenzoyl)amino-2-methyl-phenyl]-benzamide
SMILES [?]:
Cc1c(cccc1NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C21H16F2N2O2/c1-13-18(24-20(26)14-7-2-4-9-16(14)22)11-6-12-19(13)25-21(27)15-8-3-5-10-17(15)23/h2-12H,1H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,13,23,14,24,5,12,22,15,25,6,4,2,11,21,16,26,7,3,9,19,17,27,8,18,10,20/E:(2,3)(4,5)(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;s16;s3;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16F2N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.92093 |
Area: | 556.058 |
Solvation: | -5.98052 |
Coulombic: | -49.3986 |
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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