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Chemical ID: 7020211
Chemical ID:
7020211
Name [?]:
2-fluoro-N-[(2-fluorobenzoyl)amino-(3-phenoxyphenyl)-methyl]-benzamide
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)C(NC(=O)c3ccccc3F)NC(=O)c4ccccc4F
InChi [?]:
InChI=1/C27H20F2N2O3/c28-23-15-6-4-13-21(23)26(32)30-25(31-27(33)22-14-5-7-16-24(22)29)18-9-8-12-20(17-18)34-19-10-2-1-3-11-19/h1-17,25H,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,30,21,31,10,11,3,5,9,19,29,22,32,13,12,4,8,18,28,23,33,14,16,26,24,34,15,25,17,27,7/E:(2,3)(4,5)(6,7)(10,11)(13,14)(15,16)(21,22)(23,24)(26,27)(28,29)(30,31)(32,33)/gE:(1,2)/rA:34nCCCCCCOCCCCCCCNCOCCCCCCFNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s14;s25;d26;s26;s28;d29;s30;d31;d28s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H20F2N2O3 |
All Atoms: | 54 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.64939 |
Area: | 680.543 |
Solvation: | -7.36418 |
Coulombic: | -59.5911 |
Bond Count [?]
All: | 37 |
Single: | 23 |
Double: | 14 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 458.456 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.4 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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