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Chemical ID: 7020207
Chemical ID:
7020207
Name [?]:
2-fluoro-N-[(2-fluorobenzoyl)amino-(4-fluorophenyl)-methyl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NC(c2ccc(cc2)F)NC(=O)c3ccccc3F)F
InChi [?]:
InChI=1/C21H15F3N2O2/c22-14-11-9-13(10-12-14)19(25-20(27)15-5-1-3-7-17(15)23)26-21(28)16-6-2-4-8-18(16)24/h1-12,19H,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,23,2,24,6,22,3,25,12,16,13,15,11,14,5,21,4,26,10,7,19,17,28,27,9,18,8,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)(17,18)(20,21)(23,24)(25,26)(27,28)/gE:(1,2)/rA:28nCCCCCCCONCCCCCCCFNCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s10;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15F3N2O2 |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.83558 |
Area: | 572.237 |
Solvation: | -7.47036 |
Coulombic: | -54.1615 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 384.351 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.08 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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