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Chemical ID: 6402754
Chemical ID:
6402754
Name [?]:
3-fluoro-N-[4-[[4-(3-fluorobenzoyl)aminophenyl]methyl]phenyl]-benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)Nc2ccc(cc2)Cc3ccc(cc3)NC(=O)c4cccc(c4)F
InChi [?]:
InChI=1/C27H20F2N2O2/c28-22-5-1-3-20(16-22)26(32)30-24-11-7-18(8-12-24)15-19-9-13-25(14-10-19)31-27(33)21-4-2-6-23(29)17-21/h1-14,16-17H,15H2,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,29,2,28,6,30,13,15,19,23,12,16,20,22,17,4,32,14,18,3,27,5,31,11,21,8,25,7,33,10,24,9,26/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)/gE:(1,2)/rA:33nCCCCCCFCONCCCCCCCCCCCCCNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s20;d21;d18s22;s21;s24;d25;s25;s27;d28;s29;d30;d27s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H20F2N2O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6903 |
Area: | 678.999 |
Solvation: | -5.28471 |
Coulombic: | -51.9198 |
Bond Count [?]
All: | 36 |
Single: | 22 |
Double: | 14 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 442.457 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.83 |
LogP (Chemaxon): | 6.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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