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Chemical ID: 7020437
Chemical ID:
7020437
Name [?]:
N-[benzamido-(2-fluorophenyl)-methyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)NC(c2ccccc2F)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C21H17FN2O2/c22-18-14-8-7-13-17(18)19(23-20(25)15-9-3-1-4-10-15)24-21(26)16-11-5-2-6-12-16/h1-14,19H,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,24,2,6,23,25,13,14,3,5,22,26,12,15,4,21,11,16,10,7,19,17,9,18,8,20/E:(1,2)(3,4,5,6)(9,10,11,12)(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;s16;s10;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17FN2O2 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.83767 |
Area: | 557.277 |
Solvation: | -4.09426 |
Coulombic: | -50.6516 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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