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Chemical ID: 5760558
Chemical ID:
5760558
Name [?]:
N-(4-benzamidocyclohexyl)-2-fluoro-benzamide
SMILES [?]:
c1ccc(cc1)C(=O)NC2CCC(CC2)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C20H21FN2O2/c21-18-9-5-4-8-17(18)20(25)23-16-12-10-15(11-13-16)22-19(24)14-6-2-1-3-7-14/h1-9,15-16H,10-13H2,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,22,3,5,20,23,11,15,12,14,4,10,13,19,24,7,17,25,9,16,8,18/E:(2,3)(6,7)(10,11)(12,13)/rA:25nCCCCCCCONCCCCCCNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;s10s14;s13;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21FN2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87681 |
Area: | 559.584 |
Solvation: | -4.11279 |
Coulombic: | -48.9457 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 340.391 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.1 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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