Chemical ID: 5760558

c1ccc(cc1)C(=O)NC2CCC(CC2)NC(=O)c3ccccc3F
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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