Chemical ID: 5445795

c1ccc(cc1)C(=O)NC(c2cccc(c2)F)NC(=O)c3ccccc3
Chemical ID:
5445795
Name [?]:
N-[benzamido-(3-fluorophenyl)-methyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)NC(c2cccc(c2)F)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C21H17FN2O2/c22-18-13-7-12-17(14-18)19(23-20(25)15-8-3-1-4-9-15)24-21(26)16-10-5-2-6-11-16/h1-14,19H,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,24,2,6,23,25,13,3,5,22,26,12,14,16,4,21,11,15,10,7,19,17,9,18,8,20/E:(1,2)(3,4,5,6)(8,9,10,11)(15,16)(20,21)(23,24)(25,26)/gE:(1,2)/rA:26nCCCCCCCONCCCCCCCFNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s10;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17FN2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.0071
Area:564.247
Solvation:-4.09904
Coulombic:-50.5972
Bond Count [?]
All:28
Single:17
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:348.37
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.75
LogP (Chemaxon):3.96

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Experimental Annotations

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Descriptor Annotations

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